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Chemistry

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Also known as: 96346-61-1, Onapristone [inn], Zk-98299, Zk-299, Zk98299, H6h7g23o3n
Molecular Formula
C29H39NO3
Molecular Weight
449.6  g/mol
InChI Key
IEXUMDBQLIVNHZ-YOUGDJEHSA-N
FDA UNII
H6H7G23O3N

Onapristone
Onapristone is an orally bioavailable progesterone receptor (PR) antagonist, with potential antineoplastic activity. Upon oral administration, onapristone binds to the PR and inhibits both PR activation and the associated expression of PR-responsive genes. This may inhibit PR-mediated proliferative effects in cancer cells overexpressing PR. In addition, onapristone may downregulate cancer stem cell mobilization and block immune evasion. PR is expressed on certain cancer cell types and plays a key role in tumor cell proliferation and survival.
1 2D Structure

Onapristone

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(8S,11R,13R,14S,17S)-11-[4-(dimethylamino)phenyl]-17-hydroxy-17-(3-hydroxypropyl)-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
2.1.2 InChI
InChI=1S/C29H39NO3/c1-28-18-25(19-5-8-21(9-6-19)30(2)3)27-23-12-10-22(32)17-20(23)7-11-24(27)26(28)13-15-29(28,33)14-4-16-31/h5-6,8-9,17,24-26,31,33H,4,7,10-16,18H2,1-3H3/t24-,25+,26-,28+,29+/m0/s1
2.1.3 InChI Key
IEXUMDBQLIVNHZ-YOUGDJEHSA-N
2.1.4 Canonical SMILES
CC12CC(C3=C4CCC(=O)C=C4CCC3C1CCC2(CCCO)O)C5=CC=C(C=C5)N(C)C
2.1.5 Isomeric SMILES
C[C@@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(CCCO)O)C5=CC=C(C=C5)N(C)C
2.2 Other Identifiers
2.2.1 UNII
H6H7G23O3N
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 11 Beta-(4-dimethylaminophenyl)-17 Alpha-hydroxy-17 Beta-(3-hydroxypropyl)-13 Alpha-methyl-4,9-gonadien-3-one

2. Zk 299

3. Zk 98.299

4. Zk 98299

5. Zk-299

6. Zk-98299

2.3.2 Depositor-Supplied Synonyms

1. 96346-61-1

2. Onapristone [inn]

3. Zk-98299

4. Zk-299

5. Zk98299

6. H6h7g23o3n

7. Zk299

8. Onapristone (inn)

9. Onapristonum [latin]

10. Onapristona [spanish]

11. Onapristona

12. Onapristonum

13. Zk 299

14. (8s,11r,13r,14s,17s)-11-(4-(dimethylamino)phenyl)-17-hydroxy-17-(3-hydroxypropyl)-13-methyl-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-3h-cyclopenta[a]phenanthren-3-one

15. Ccris 6530

16. Zk 98299

17. Unii-h6h7g23o3n

18. Zk 98.299

19. Xe 299

20. Onapristone [mi]

21. Schembl8740

22. Onapristone [who-dd]

23. Gtpl2882

24. Tetrafluoroethylene Dimethylamine

25. Chembl1908373

26. Dtxsid90242210

27. Ivv-1001

28. Zinc3831947

29. Bdbm50366558

30. Nsc792824

31. Akos025311420

32. Db12637

33. Nsc-792824

34. (8s,11r,13r,14s,17s)-11-(4-dimethylaminophenyl)-17-hydroxy-17-(3-hydroxypropyl)-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one

35. 11beta-(p-(dimethylamino)phenyl)-17alpha-hydroxy-17-(3-hydroxypropyl)-13alpha-estra-4,9-dien-3-one

36. Bo161274

37. Estra-4,9-dien-3-one, 11-(4-(dimethylamino)phenyl)-17-hydroxy-17-(3-hydroxypropyl)-, (11-beta,13-alpha,17-alpha)-

38. Hy-106389

39. Cs-0025702

40. D09571

41. Q27088181

42. (8s,11r,13r,14s,17s)-11-(4-(dimethylamino)phenyl)-17-hydroxy-17-(3-hydroxypropyl)-13-methyl-6,7,8,11,12,13,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3(2h)-one

43. (8s,11r,13r,14s,17s)-11-[4-(dimethylamino)phenyl]-17-hydroxy-17-(3-hydroxypropyl)-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one

44. 11.beta.-(p-(dimethylamino)phenyl)-17.alpha.-hydroxy-17-(3-hydroxypropyl)-13.alpha.-estra-4,9-dien-3-one

45. Estra-4,9-dien-3-one, 11-[4-(dimethylamino)phenyl]-17-hydroxy-17-(3-hydroxypropyl)-, (11.beta.,13.alpha.,17.alpha.)-

46. Estra-4,9-dien-3-one,11-[4-(dimethylamino)phenyl]-17-hydroxy-17-(3-hydroxypropyl)-,(11b,13a,17a)-

2.4 Create Date
2005-12-16
3 Chemical and Physical Properties
Molecular Weight 449.6 g/mol
Molecular Formula C29H39NO3
XLogP33.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass449.29299411 g/mol
Monoisotopic Mass449.29299411 g/mol
Topological Polar Surface Area60.8 Ų
Heavy Atom Count33
Formal Charge0
Complexity836
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Fertility Agents, Female

Compounds which increase the capacity to conceive in females. (See all compounds classified as Fertility Agents, Female.)


Antineoplastic Agents

Substances that inhibit or prevent the proliferation of NEOPLASMS. (See all compounds classified as Antineoplastic Agents.)


Hormone Antagonists

Chemical substances which inhibit the function of the endocrine glands, the biosynthesis of their secreted hormones, or the action of hormones upon their specific sites. (See all compounds classified as Hormone Antagonists.)


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ABOUT THIS PAGE

Onapristone Manufacturers

A Onapristone manufacturer is defined as any person or entity involved in the manufacture, preparation, processing, compounding or propagation of Onapristone, including repackagers and relabelers. The FDA regulates Onapristone manufacturers to ensure that their products comply with relevant laws and regulations and are safe and effective to use. Onapristone API Manufacturers are required to adhere to Good Manufacturing Practices (GMP) to ensure that their products are consistently manufactured to meet established quality criteria.

Onapristone Suppliers

A Onapristone supplier is an individual or a company that provides Onapristone active pharmaceutical ingredient (API) or Onapristone finished formulations upon request. The Onapristone suppliers may include Onapristone API manufacturers, exporters, distributors and traders.

click here to find a list of Onapristone suppliers with USDMF, JDMF, KDMF, CEP, GMP, COA and API Price related information on PharmaCompass.

Onapristone USDMF

A Onapristone DMF (Drug Master File) is a document detailing the whole manufacturing process of Onapristone active pharmaceutical ingredient (API) in detail. Different forms of Onapristone DMFs exist exist since differing nations have different regulations, such as Onapristone USDMF, ASMF (EDMF), JDMF, CDMF, etc.

A Onapristone DMF submitted to regulatory agencies in the US is known as a USDMF. Onapristone USDMF includes data on Onapristone's chemical properties, information on the facilities and procedures used, and details about packaging and storage. The Onapristone USDMF is kept confidential to protect the manufacturer’s intellectual property.

click here to find a list of Onapristone suppliers with USDMF on PharmaCompass.

Onapristone GMP

Onapristone Active pharmaceutical ingredient (API) is produced in GMP-certified manufacturing facility.

GMP stands for Good Manufacturing Practices, which is a system used in the pharmaceutical industry to make sure that goods are regularly produced and monitored in accordance with quality standards. The FDA’s current Good Manufacturing Practices requirements are referred to as cGMP or current GMP which indicates that the company follows the most recent GMP specifications. The World Health Organization (WHO) has its own set of GMP guidelines, called the WHO GMP. Different countries can also set their own guidelines for GMP like China (Chinese GMP) or the EU (EU GMP).

PharmaCompass offers a list of Onapristone GMP manufacturers, exporters & distributors, which can be sorted by USDMF, JDMF, KDMF, CEP (COS), WC, API price, and more, enabling you to easily find the right Onapristone GMP manufacturer or Onapristone GMP API supplier for your needs.

Onapristone CoA

A Onapristone CoA (Certificate of Analysis) is a formal document that attests to Onapristone's compliance with Onapristone specifications and serves as a tool for batch-level quality control.

Onapristone CoA mostly includes findings from lab analyses of a specific batch. For each Onapristone CoA document that a company creates, the USFDA specifies specific requirements, such as supplier information, material identification, transportation data, evidence of conformity and signature data.

Onapristone may be tested according to a variety of international standards, such as European Pharmacopoeia (Onapristone EP), Onapristone JP (Japanese Pharmacopeia) and the US Pharmacopoeia (Onapristone USP).

Inform the supplier about your product requirements, specifying if you need a product with particular monograph like EP (Ph. Eur.), USP, JP, BP, or any other quality. In addition, clarify whether you need hydrochloride (HCl), anhydricum, base, micronisatum or a specific level of purity. To find reputable suppliers, utilize the filters and select those certified by GMP, FDA, or any other certification as per your requirement.
For your convenience, we have listed synonyms and CAS numbers to help you find the best supplier. The use of synonyms and CAS numbers can be helpful in identifying potential suppliers, but it is crucial to note that they might not always indicate the exact same product. It is important to confirm the product details with the supplier before making a purchase to ensure that it meets your requirements.
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