EUROAPI, the leading small molecules API player, provides both API sales & CDMO services.

ACCESS ALL DATA
Browse all information
CHEMISTRY
Discover Molecule Insights

ACTIVE PHARMA INGREDIENTS

1 NDC API

1 NDC API

DEVELOPMENTS

1 Drugs in Development

1 Drugs in Development

DIGITAL CONTENT

1 NEWS #PharmaBuzz

media
1 NEWS #PharmaBuzz

Synopsis

ACTIVE PHARMA INGREDIENTS

API Suppliers

USDMF

CEP/COS

JDMF

EU WC

KDMF

NDC API

VMF

Listed Suppliers

API REF. PRICE (USD/KG)

$ 0

MARKET PLACE

API

FDF

0INTERMEDIATES

FINISHED DOSAGE FORMULATIONS

FDF Dossiers

FDA Orange Book

Europe

Canada

Australia

South Africa

Listed Dossiers

1DRUGS IN DEVELOPMENT

DRUG PRODUCT COMPOSITIONS

REF. STANDARDS OR IMPURITIES

EDQM

USP

Others

PATENTS & EXCLUSIVITIES

US Patents

US Exclusivities

Health Canada Patents

DIGITAL CONTENT

Data Compilation #PharmaFlow

Stock Recap #PipelineProspector

Weekly News Recap #Phispers

News #PharmaBuzz

GLOBAL SALES INFORMATION

US Medicaid (USD)

Annual Reports (USD Million)

Finished Drug Prices

0RELATED EXCIPIENT COMPANIES

0EXCIPIENTS BY APPLICATIONS

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: Phbsp, Ph-bsp, Ara290, Ara-290, 1208243-50-8, Ara 290

Molecular Formula

C₅₁H₈₄N₁₆O₂₁

Molecular Weight

1257.3 g/mol

InChI Key

WZTIQQBMSJTRBR-WYKNNRPVSA-N

FDA UNII

9W5677JKDA

Cibinetide has been used in trials studying the basic science of Depression.

1 2D Structure

Cibinetide

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(4S)-5-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxo-4-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid

2.1.2 InChI

InChI=1S/C51H84N16O21/c1-22(2)17-30(47(84)65-32(19-36(53)71)48(85)66-33(20-68)49(86)67-34(21-69)50(87)88)63-40(77)24(5)57-41(78)25(7-6-16-56-51(54)55)59-43(80)29(11-15-39(75)76)62-46(83)31(18-23(3)4)64-45(82)27(8-12-35(52)70)60-44(81)28(10-14-38(73)74)61-42(79)26-9-13-37(72)58-26/h22-34,68-69H,6-21H2,1-5H3,(H2,52,70)(H2,53,71)(H,57,78)(H,58,72)(H,59,80)(H,60,81)(H,61,79)(H,62,83)(H,63,77)(H,64,82)(H,65,84)(H,66,85)(H,67,86)(H,73,74)(H,75,76)(H,87,88)(H4,54,55,56)/t24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-/m0/s1

2.1.3 InChI Key

WZTIQQBMSJTRBR-WYKNNRPVSA-N

2.1.4 Canonical SMILES

CC(C)CC(C(=O)NC(CC(=O)N)C(=O)NC(CO)C(=O)NC(CO)C(=O)O)NC(=O)C(C)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)O)NC(=O)C1CCC(=O)N1

2.1.5 Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCC(=O)N1

2.2 Other Identifiers

2.2.1 UNII

9W5677JKDA

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Ara-290

2. Ara290

3. Pglu-glu-gln-leu-glu-arg-ala-leu-asn-ser-ser

4. Phbsp Peptide

5. Pyroglutamate Helix B Surface Peptide

6. Pyroglutamate-glutamyl-glutaminyl-leucyl-glutamyl-arginyl-alanyl-leucyl-asparagyl-seryl-serine

7. Ueqleralnss

2.3.2 Depositor-Supplied Synonyms

1. Phbsp

2. Ph-bsp

3. Ara290

4. Ara-290

5. 1208243-50-8

6. Ara 290

7. Cibinetide [usan]

8. Pglu-glu-gln-leu-glu-arg-ala-leu-asn-ser-ser

9. 9w5677jkda

10. Pyr-glu-gln-leu-glu-arg-ala-leu-asn-ser-ser-oh

11. L-pyroglutamyl-l-glutamyl-l-glutaminyl-l-ieucyl-l-glutamyl-l-arginyl-l-alanyl-l-leucyl-l-asparaginyl-l-seryl-l-serine

12. L-pyroglutamyl-l-glutamyl-l-glutaminyl-l-leucyl-l-glutamyl-l-arginyl-l-alanyl-l-leucyl-l-asparaginyl-l-seryl-l-serine

13. Phbsp Peptide

14. Unii-9w5677jkda

15. Cibinetidecibinetide

16. Pyroglutamate Helix B Surface Peptide

17. Cibinetide [inn]

18. Cibinetide (usan/inn)

19. Cibinetide [who-dd]

20. Gtpl9677

21. Chembl3545305

22. Ex-a6264

23. Db13006

24. Pyroglutamate-glutamyl-glutaminyl-leucyl-glutamyl-arginyl-alanyl-leucyl-asparagyl-seryl-serine

25. L-serine, 5-oxo-l-prolyl-l-alpha-glutamyl-l-glutaminyl-l-leucyl-l-alpha-glutamyl-l-arginyl-l-alanyl-l-leucyl-l-asparaginyl-l-seryl-

26. D11218

27. Q27273306

28. L-pyr-l-glu-l-gln-l-leu-l-glu-l-arg-l-ala-l-leu-l-asn-l-ser-l-ser

29. L-serine, 5-oxo-l-prolyl-l-.alpha.-glutamyl-l-glutaminyl-l-leucyl-l-.alpha.-glutamyl-l-arginyl-l-alanyl-l-leucyl-l-asparaginyl-l-seryl-

2.4 Create Date

2015-07-11

3 Chemical and Physical Properties

Molecular Formula	C₅₁H₈₄N₁₆O₂₁
Molecular Weight	1257.3 g/mol
XLogP3	-7.7
Hydrogen Bond Donor Count	20
Hydrogen Bond Acceptor Count	22
Rotatable Bond Count	42
Exact Mass	1256.59969375 g/mol
Monoisotopic Mass	1256.59969375 g/mol
Topological Polar Surface Area	623 Å²
Heavy Atom Count	88
Formal Charge	0
Complexity	2560
Isotope Atom Count	0
Defined Atom Stereocenter Count	11
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1