CAS 1044676-63-2 manufacturers and suppliers on PharmaCompass

PharmaCompass

Chemistry

Click the arrow to open the dropdown
read-moreClick the button for full data set
Also known as: Vildagliptin, 274901-16-5, (2s)-1-((3-hydroxyadamantan-1-yl)glycyl)pyrrolidine-2-carbonitrile, (2s)-1-[2-[[(5s,7r)-3-hydroxy-1-adamantyl]amino]acetyl]pyrrolidine-2-carbonitrile, 1044676-63-2, Chembl319819
Molecular Formula
C17H25N3O2
Molecular Weight
303.4  g/mol
InChI Key
SYOKIDBDQMKNDQ-HHUWHTLVSA-N

CAS 1044676-63-2
A pyrrolidine-carbonitrile derivative and potent inhibitor of DIPEPTIDYL PEPTIDASE 4 that is used in the treatment of TYPE 2 DIABETES MELLITUS.
1 2D Structure

CAS 1044676-63-2

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2S)-1-[2-[[(5S,7R)-3-hydroxy-1-adamantyl]amino]acetyl]pyrrolidine-2-carbonitrile
2.1.2 InChI
InChI=1S/C17H25N3O2/c18-9-14-2-1-3-20(14)15(21)10-19-16-5-12-4-13(6-16)8-17(22,7-12)11-16/h12-14,19,22H,1-8,10-11H2/t12-,13+,14-,16?,17?/m0/s1
2.1.3 InChI Key
SYOKIDBDQMKNDQ-HHUWHTLVSA-N
2.1.4 Canonical SMILES
C1CC(N(C1)C(=O)CNC23CC4CC(C2)CC(C4)(C3)O)C#N
2.1.5 Isomeric SMILES
C1C[C@H](N(C1)C(=O)CNC23C[C@H]4C[C@@H](C2)CC(C4)(C3)O)C#N
2.2 Synonyms
2.2.1 MeSH Synonyms

1. (2s)-(((3-hydroxyadamantan-1-yl)amino)acetyl)pyrrolidine-2-carbonitrile

2. Galvus

3. Nvp Laf237

4. Nvp-laf237

5. Vildagliptin

2.2.2 Depositor-Supplied Synonyms

1. Vildagliptin

2. 274901-16-5

3. (2s)-1-((3-hydroxyadamantan-1-yl)glycyl)pyrrolidine-2-carbonitrile

4. (2s)-1-[2-[[(5s,7r)-3-hydroxy-1-adamantyl]amino]acetyl]pyrrolidine-2-carbonitrile

5. 1044676-63-2

6. Chembl319819

7. Chembl3084811

8. Schembl10031674

9. Schembl16153676

10. Schembl16155482

11. (s)-1-(2-(((1r,3r,5r,7s)-3-hydroxyadamantan-1-yl)amino)acetyl)pyrrolidine-2-carbonitrile

12. Laf237;nvp-laf 237

13. Bdbm123776

14. Zinc3976077

15. Bdbm50129889

16. Fd6071

17. Mfcd08275142

18. Akos015924571

19. Zinc100013465

20. Zinc100492199

21. Bs-1016

22. 901v165

23. Q-101364

24. Q27462467

25. 1-[2-(3-hydroxy-adamantan-1-ylamino)-acetyl]-pyrrolidine-2-carbonitrile

26. (s)-1-(((1r,3r,5r,7s)-3-hydroxyadamantan-1-yl)glycyl)pyrrolidine-2-carbonitrile

27. (2s)-1-(2-{[(1r,3s,5r,7s)-3-hydroxyadamantan-1- Yl]amino}acetyl)pyrrolidine-2-carbonitrile (11)

28. (2s)-1-{n-[(1r,3s,5r,7s)-3-hydroxytricyclo[3.3.1.1~3,7~]dec-1-yl]glycyl}pyrrolidine-2-carbonitrile

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 303.4 g/mol
Molecular Formula C17H25N3O2
XLogP30.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass303.19467705 g/mol
Monoisotopic Mass303.19467705 g/mol
Topological Polar Surface Area76.4 Ų
Heavy Atom Count22
Formal Charge0
Complexity523
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Drug and Medication Information
4.1 Drug Indication

Vildagliptin is indicated as an adjunct to diet and exercise to improve glycaemic control in adults with type 2 diabetes mellitus:

as monotherapy in patients in whom metformin is inappropriate due to contraindications or intolerance. in combination with other medicinal products for the treatment of diabetes, including insulin, when these do not provide adequate glycaemic control


Vildagliptin is indicated as an adjunct to diet and exercise to improve glycaemic control in adults with type 2 diabetes mellitus:

- as monotherapy in patients in whom metformin is inappropriate due to contraindications or intolerance.

- in combination with other medicinal products for the treatment of diabetes, including insulin, when these do not provide adequate glycaemic control (see sections 4. 4, 4. 5 and 5. 1 for available data on different combinations).


Vildagliptin is indicated as an adjunct to diet and exercise to improve glycaemic control in adults with type 2 diabetes mellitus:

- as monotherapy in patients in whom metformin is inappropriate due to contraindications or intolerance.

- in combination with other medicinal products for the treatment of diabetes, including insulin, when these do not provide adequate glycaemic control (see sections 4. 4, 4. 5 and 5. 1 for available data on different combinations).


Treatment of type II diabetes mellitus


5 Pharmacology and Biochemistry
5.1 MeSH Pharmacological Classification

Dipeptidyl-Peptidase IV Inhibitors

Compounds that suppress the degradation of INCRETINS by blocking the action of DIPEPTIDYL-PEPTIDASE IV. This helps to correct the defective INSULIN and GLUCAGON secretion characteristic of TYPE 2 DIABETES MELLITUS by stimulating insulin secretion and suppressing glucagon release. (See all compounds classified as Dipeptidyl-Peptidase IV Inhibitors.)


Hypoglycemic Agents

Substances which lower blood glucose levels. (See all compounds classified as Hypoglycemic Agents.)


5.2 ATC Code

A10BH02


A10BH02


A10BH02


A - Alimentary tract and metabolism

A10 - Drugs used in diabetes

A10B - Blood glucose lowering drugs, excl. insulins

A10BH - Dipeptidyl peptidase 4 (dpp-4) inhibitors

A10BH02 - Vildagliptin


BUILDING BLOCK

Upload your portfolio for free, ask us

END USE APIs

read-more
read-more
Ask Us for Pharmaceutical Supplier and Partner
Ask Us, Find A Supplier / Partner
No Commissions, No Strings Attached, Get Connected for FREE

What are you looking for?

How can we help you?

The request can't be empty

Please read our Privacy Policy carefully

You must agree to the privacy policy

The name can't be empty
The company can't be empty.
The email can't be empty Please enter a valid email.
The mobile can't be empty