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Chemistry

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Also known as: 96702-03-3, L-ectoine, (s)-2-methyl-3,4,5,6-tetrahydropyrimidine-4-carboxylic acid, Thp(b), 7gxz3858ry, (s)-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid
Molecular Formula
C6H10N2O2
Molecular Weight
142.16  g/mol
InChI Key
WQXNXVUDBPYKBA-YFKPBYRVSA-N
FDA UNII
7GXZ3858RY

Ectoine
Ectoine is a metabolite found in or produced by Escherichia coli (strain K12, MG1655).
1 2D Structure

Ectoine

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(6S)-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid
2.1.2 InChI
InChI=1S/C6H10N2O2/c1-4-7-3-2-5(8-4)6(9)10/h5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1
2.1.3 InChI Key
WQXNXVUDBPYKBA-YFKPBYRVSA-N
2.1.4 Canonical SMILES
CC1=NCCC(N1)C(=O)O
2.1.5 Isomeric SMILES
CC1=NCC[C@H](N1)C(=O)O
2.2 Other Identifiers
2.2.1 UNII
7GXZ3858RY
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 1,4,5,6-tetrahydro-2-methyl-4-pyrimidinecarboxylic Acid

2. Ectoin

2.3.2 Depositor-Supplied Synonyms

1. 96702-03-3

2. L-ectoine

3. (s)-2-methyl-3,4,5,6-tetrahydropyrimidine-4-carboxylic Acid

4. Thp(b)

5. 7gxz3858ry

6. (s)-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic Acid

7. Chebi:27592

8. (4s)-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic Acid

9. (6s)-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic Acid

10. (s)-2-methyl- 1,4,5,6-tetrahydropyrimidine-4-carboxylic Acid

11. Ectoin

12. (+)-1,4,5,6-tetrahydro-2-methyl-4-pyrimidinecarboxylic Acid

13. Smr000127407

14. Ectoine, Primary Pharmaceutical Reference Standard

15. Unii-7gxz3858ry

16. Mfcd03419286

17. Nsc-614616

18. (4s)-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylate

19. 4cs

20. Ectoine, Osmoprotectant

21. Ectoin [inci]

22. Ectoine [mi]

23. 4-pyrimidinecarboxylicacid, 3,4,5,6-tetrahydro-2-methyl-, (4s)-

24. Ectoine [who-dd]

25. Schembl93532

26. Us9138393, Ectoine

27. Us9144538, Ectoine

28. Mls001332487

29. Mls001332488

30. Chembl1230264

31. Dtxsid50869280

32. Bdbm181140

33. Ectoine, >=95.0% (hplc)

34. (4s)-3,4,5,6-tetrahydro-2-methyl-4-pyrimidinecarboxylic Acid

35. Ex-a1678

36. Zinc1612568

37. 4-pyrimidinecarboxylic Acid, 1,4,5,6-tetrahydro-2-methyl-, (4s)-

38. S5591

39. Akos006348056

40. Ccg-266161

41. Ds-3343

42. Nsc 614616

43. Ac-33942

44. Hy-107784

45. Cs-0030647

46. E1372

47. C06231

48. I11596

49. Q414414

50. (s)-1,4,5,6-tetrahydro-2-methyl-4-pyrimi-dinecarboxylic Acid

51. (s)-1,4,5,6-tetrahydro-2-methyl-4-pyrimidinecarboxylic Acid

52. (6s)-2-methyl-1,4,5,6-tetrahydropyrimidin-3-ium-6-carboxylate

53. 4-pyrimidinecarboxylic Acid, 1,4,5,6-tetrahydro-2-methyl-, (+)-

54. Ectoine (2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic Acid)

2.4 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 142.16 g/mol
Molecular Formula C6H10N2O2
XLogP3-0.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass142.074227566 g/mol
Monoisotopic Mass142.074227566 g/mol
Topological Polar Surface Area61.7 Ų
Heavy Atom Count10
Formal Charge0
Complexity177
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

Listed Suppliers

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01

  • fda
  • EDQM
  • WHO-GMP

Virtual BoothBloomage is a one-stop source for CEP Sodium Hyaluronate and Hyaluronic Acid// FDA-inspected & GMP-certified.

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Digital Content Digital Content

Ectoine

About the Company : Bloomage Biotechnology Corporation Limited, formerly Bloomage Freda Biopharm, was established by Bloomage International Investment Group. It is a global leader in bioactive materia...

Bloomage Biotechnology Corporation Limited, formerly Bloomage Freda Biopharm, was established by Bloomage International Investment Group. It is a global leader in bioactive materials like mucopolysaccharides, proteins, peptides, amino acids, & natural compounds. In the 1990s, it became the first company in China to develop fermentation-based sodium hyaluronate. With around 200 specifications of hyaluronic acid, it caters to the pharmaceutical, medical devices, cosmetics, & functional food sectors. For pharma raw materials, Bloomage offers innovative solutions in aesthetics, dermatology, ophthalmology, orthopedics, & regenerative medicines.
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02

  • fda
  • EDQM
  • WHO-GMP

Virtual BoothShanghai Minbiotech is the leading producer of biopharmaceuticals and a variety of high-end generic & innovative drugs.

Flag China
Digital Content Digital Content

Ectoine

About the Company : ​Headquartered in Fengxian District, Shanghai Minbiotch Co., Ltd. is a company specializing in the R&D and production of advanced pharmaceutical intermediates and biological APIs...

​Headquartered in Fengxian District, Shanghai Minbiotch Co., Ltd. is a company specializing in the R&D and production of advanced pharmaceutical intermediates and biological APIs. There are more than 1000 square meters of R&D centers in Nantong, Jiangsu and Jinan, Shandong, with more than 13,000㎡ of production sites. While supplying products to customers, the company also provides services such as technology development, technology transfer and technology exchange, aiming to provide customers with comprehensive supply and solutions in the biomedical industry.
Shanghai Minbiotech CB

03

ASC 2024
Not Confirmed
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Ectoine

About the Company : Anhui Haikang Pharmaceutical Co., Ltd. was established in 2009 and located in a High-tech industry park, Anqing City, Anhui Province---a famous historical and cultural city in Chin...

Anhui Haikang Pharmaceutical Co., Ltd. was established in 2009 and located in a High-tech industry park, Anqing City, Anhui Province---a famous historical and cultural city in China, adjacent to SINOPEC Anqing Branch. This industry park has been declared as a national chemical industry park, providing a strong impetus and solid guarantee for the future development of us. As a production base, Anhui Haikang provides sufficient high-quality pharmaceutical and chemical products.
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04

Bitop AG

Germany
ASC 2024
Not Confirmed
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Bitop AG

Germany
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ASC 2024
Not Confirmed

Ectoine

About the Company : bitop is focused on the development of Ectoin-containing medical devices. Ectoin is produced by extremophilic microorganisms and has inflammation reducing, cell protective and rege...

bitop is focused on the development of Ectoin-containing medical devices. Ectoin is produced by extremophilic microorganisms and has inflammation reducing, cell protective and regenerative properties. bitop is offering products such as allergy nasal sprays and eye drops, products for the symptomatic treatment of acute rhinosinusitis and rhinitis sicca, eye drops for the treatment of symptoms of dry eye syndrome or creams which alleviate symptoms of inflammatory skin diseases to distributors. bitop is worldwide the only producer of Ectoin.
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05

ASC 2024
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Ectoine

About the Company : JIN DUN Medical Research Institute is affiliated to Shanghai JIN DUN Industrial Co., Ltd., headquartered in Shanghai, adjacent to Hongqiao High-speed Railway Station and Hongqiao I...

JIN DUN Medical Research Institute is affiliated to Shanghai JIN DUN Industrial Co., Ltd., headquartered in Shanghai, adjacent to Hongqiao High-speed Railway Station and Hongqiao International airport. JIN DUN Medical Research Institute is committed to providing pharmaceutical intermediates and raw materials with the purpose of innovative drug research. Customized R&D and customized production services.
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06

SBS Genetech

China
ASC 2024
Not Confirmed
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SBS Genetech

China
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ASC 2024
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Ectoine

About the Company : Beijing SBS Genetech Co.,Ltd. is one of the earliest Chinese companies providing custom oligonucleotides synthesis, gene synthesis and custom peptide synthesis. Since we founded in...

Beijing SBS Genetech Co.,Ltd. is one of the earliest Chinese companies providing custom oligonucleotides synthesis, gene synthesis and custom peptide synthesis. Since we founded in 2000, we have been committed to use technology to create a future that we are a proud of. Over decades, by providing safer, higher quality and more affordable products, we have served top researchers in more than 40 countries, empowering them to create new fundamental knowledge in the field of biology.
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API Reference Price

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Import","activeIngredients":"","year":"2023","qtr":"Q1","strtotime":1676485800,"product":"RONACARE ECTOIN 2PCS X 5KG","address":"8TH FLOOR, GODREJ ONE, GODREJ COMPOUND,VIKHROLI EAST Conta","city":"MUMBAI","supplier":"MERCK ELECTRONICS KGAA","supplierCountry":"GERMANY","foreign_port":"NA","customer":"MERCK PERFORMANCE MATERIALS PRIVATE LIMITED","customerCountry":"INDIA","quantity":"10.00","actualQuantity":"10","unit":"KGS","unitRateFc":"67362.4","totalValueFC":"8199.5","currency":"INR","unitRateINR":"67719.9","date":"16-Feb-2023","totalValueINR":"677199.41","totalValueInUsd":"8199.5","indian_port":"BOMBAY AIR","hs_no":"29335990","bill_no":"4667252","productDescription":"API","marketType":"REGULATED MARKET","country":"GERMANY","selfForZScoreResived":"Pharma Grade","supplierPort":"NA","supplierAddress":"","customerAddress":"8TH FLOOR, GODREJ ONE, GODREJ COMPOUND,VIKHROLI EAST Conta"},{"dataSource":"API Import","activeIngredients":"","year":"2023","qtr":"Q1","strtotime":1678991400,"product":"RONACARE ECTOIN 2PCS X 5KG","address":"8TH FLOOR, GODREJ ONE, GODREJ COMPOUND,VIKHROLI EAST Conta","city":"MUMBAI","supplier":"MERCK ELECTRONICS KGAA","supplierCountry":"GERMANY","foreign_port":"NA","customer":"MERCK GROUP","customerCountry":"INDIA","quantity":"10.00","actualQuantity":"10","unit":"KGS","unitRateFc":"66871.7","totalValueFC":"8182.6","currency":"INR","unitRateINR":"67302.3","date":"17-Mar-2023","totalValueINR":"673022.89","totalValueInUsd":"8182.6","indian_port":"BOMBAY AIR","hs_no":"29335990","bill_no":"5087005","productDescription":"API","marketType":"REGULATED MARKET","country":"GERMANY","selfForZScoreResived":"Pharma Grade","supplierPort":"NA","supplierAddress":"","customerAddress":"8TH FLOOR, GODREJ ONE, GODREJ COMPOUND,VIKHROLI EAST Conta"},{"dataSource":"API Import","activeIngredients":"","year":"2023","qtr":"Q2","strtotime":1683829800,"product":"RONACARE ECTOIN 2PCS X 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KGAA","supplierCountry":"GERMANY","foreign_port":"HAMBURG","customer":"MERCK PERFORMANCE MATERIALS PRIVATE LIMITED","customerCountry":"INDIA","quantity":"15.00","actualQuantity":"15","unit":"KGS","unitRateFc":"80936.5","totalValueFC":"14580.9","currency":"INR","unitRateINR":"80944.6","date":"01-Nov-2023","totalValueINR":"1214168.4","totalValueInUsd":"14580.9","indian_port":"JNPT","hs_no":"29335990","bill_no":"8568224","productDescription":"API","marketType":"REGULATED MARKET","country":"GERMANY","selfForZScoreResived":"Pharma Grade","supplierPort":"HAMBURG","supplierAddress":"Frankfurter Strasse 25064293 Darmstadt,(BENEFICIARY MERCK FINANCIALS SERVICES GMBH) GERMANY","customerAddress":"1505-1506, KESAR SOLITAIRE, PLOT"}]
07-Oct-2022
01-Nov-2023
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Drugs in Development

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Details:

Bloomecto (ectoine) is an osmoprotectant which form a hydration layer outside the cells, reduce the impact of allergens on cells, ease the development of inflammation.


Lead Product(s): Ectoine

Therapeutic Area: Immunology Brand Name: Bloomecto

Study Phase: ApprovedProduct Type: Small molecule

Sponsor: Not Applicable

Deal Size: Not Applicable Upfront Cash: Not Applicable

Deal Type: Not Applicable October 30, 2022

Bloomage Company Banner

01

Lead Product(s) : Ectoine

Therapeutic Area : Immunology

Highest Development Status : Approved

Partner/Sponsor/Collaborator : Not Applicable

Deal Size : Not Applicable

Deal Type : Not Applicable

Details : Bloomecto (ectoine) is an osmoprotectant which form a hydration layer outside the cells, reduce the impact of allergens on cells, ease the development of inflammation.

Brand Name : Bloomecto

Molecule Type : Small molecule

Upfront Cash : Not Applicable

October 30, 2022

Bloomage Company Banner
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FDF Dossiers

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01

Bitop AG

Germany
ASC 2024
Not Confirmed
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Bitop AG

Germany
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ASC 2024
Not Confirmed

Ectoine; Niacinamide; Hyaluronic Acid

Brand Name :

Dosage Form : Serum

Dosage Strength : 2%

Packaging :

Approval Date :

Application Number :

Regulatory Info :

Registration Country : Germany

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02

Bitop AG

Germany
ASC 2024
Not Confirmed
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Bitop AG

Germany
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ASC 2024
Not Confirmed

Ectoine; Hyaluronic Acid

Brand Name :

Dosage Form : Eye Cream-Gel

Dosage Strength : 1%

Packaging :

Approval Date :

Application Number :

Regulatory Info :

Registration Country : Germany

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03

Bitop AG

Germany
ASC 2024
Not Confirmed
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Bitop AG

Germany
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ASC 2024
Not Confirmed

Ectoine; Olive

Brand Name :

Dosage Form : Cream

Dosage Strength : 1%

Packaging :

Approval Date :

Application Number :

Regulatory Info :

Registration Country : Germany

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04

Bitop AG

Germany
ASC 2024
Not Confirmed
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Bitop AG

Germany
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ASC 2024
Not Confirmed

Ectoine; Sea salt; panthenol

Brand Name :

Dosage Form : Hand Cream

Dosage Strength : 0.5%

Packaging :

Approval Date :

Application Number :

Regulatory Info :

Registration Country : Germany

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Listed Dossiers

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Bitop AG

Germany
ASC 2024
Not Confirmed
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Bitop AG

Germany
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ASC 2024
Not Confirmed

Ectoine; Niacinamide; Hyaluronic Acid

Brand Name :

Dosage Form : Serum

Dosage Strength : 2%

Packaging :

Approval Date :

Application Number :

Regulatory Info :

Registration Country : Germany

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01

Bitop AG

Germany
ASC 2024
Not Confirmed
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Bitop AG

Germany
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ASC 2024
Not Confirmed

Ectoine; Niacinamide; Hyaluronic Acid

Dosage : Serum

Dosage Strength : 2%

Brand Name :

Approval Date :

Application Number :

Registration Country : Germany

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02

Bitop AG

Germany
ASC 2024
Not Confirmed
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Bitop AG

Germany
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ASC 2024
Not Confirmed

Ectoine; Hyaluronic Acid

Brand Name :

Dosage Form : Eye Cream-Gel

Dosage Strength : 1%

Packaging :

Approval Date :

Application Number :

Regulatory Info :

Registration Country : Germany

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02

Bitop AG

Germany
ASC 2024
Not Confirmed
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Bitop AG

Germany
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ASC 2024
Not Confirmed

Ectoine; Hyaluronic Acid

Dosage : Eye Cream-Gel

Dosage Strength : 1%

Brand Name :

Approval Date :

Application Number :

Registration Country : Germany

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03

Bitop AG

Germany
ASC 2024
Not Confirmed
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Bitop AG

Germany
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ASC 2024
Not Confirmed

Ectoine; Olive

Brand Name :

Dosage Form : Cream

Dosage Strength : 1%

Packaging :

Approval Date :

Application Number :

Regulatory Info :

Registration Country : Germany

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03

Bitop AG

Germany
ASC 2024
Not Confirmed
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Bitop AG

Germany
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ASC 2024
Not Confirmed

Ectoine; Olive

Dosage : Cream

Dosage Strength : 1%

Brand Name :

Approval Date :

Application Number :

Registration Country : Germany

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04

Bitop AG

Germany
ASC 2024
Not Confirmed
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Bitop AG

Germany
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ASC 2024
Not Confirmed

Ectoine; Sea salt; panthenol

Brand Name :

Dosage Form : Hand Cream

Dosage Strength : 0.5%

Packaging :

Approval Date :

Application Number :

Regulatory Info :

Registration Country : Germany

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04

Bitop AG

Germany
ASC 2024
Not Confirmed
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Bitop AG

Germany
arrow
ASC 2024
Not Confirmed

Ectoine; Sea salt; panthenol

Dosage : Hand Cream

Dosage Strength : 0.5%

Brand Name :

Approval Date :

Application Number :

Registration Country : Germany

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