(2S)-1-(2-{[(1R,5S,7S)-3-hydroxyadamantan-1-yl]amino}acetyl)pyrrolidine-2-carbonitrile

Basic Information

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CAS Number

274901-16-5

Molecular Formula

C17H25N3O2

Molecular Weight

292.42 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Powder

Melting Point

153-155?C

Boiling Point

531.3°C at 760 mmHg

Flash Point

275.1℃

Specific Rotation

-78.3° (c = 9.73 in methanol)

SMILES

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C1CC(N(C1)C(=O)CNC23CC4CC(C2)CC(C4)(C3)O)C#N

InChI

InChI=1S/C17H28N2O2/c1-12-3-2-4-19(12)15(20)10-18-16-6-13-5-14(7-16)9-17(21,8-13)11-16/h12-14,18,21H,2-11H2,1H3/t12-,13?,14?,16?,17?/m1/s1

InChIKey

WOWDLLLNIGXFFA-UXCWVVDGSA-N

LogP

1.6705999999999999

Topological Polar Surface Area

52.57 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

523

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

GTPL6310
VILDAGLIPTIN (MART.)
AB01566863_01
(2S)-1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2-carbonitrile
NCGC00386200-02
274901-16-5
Vildagliptin [USAN:INN:BAN:JAN]
BDBM11695
CHEBI:135285
(2S)-1-{[(3-Hydroxytricyclo[3.3.1.13,7]dec-1-yl)amino]acetyl}pyrrolidine-2-carbonitrile
Vildagliptin
SW220049-1
NVP-LAF-237
LAF-237
vildagliptinum
A10BH02
BV164521
Xiliarx
(-)-(2S)-1-(((3-HYDROXYTRICYCLO(3.3.1.1(SUP(3,7))DEC-1-YL)AMINO)ACETYL)PYRROLIDINE-2-CARBONITRILE
DB04876
Vildagliptin (LAF-237)
LAF 237
s3033
(2S)-1-{2-[(3-Hydroxyadamant-1-yl)amino]acetyl}pyrrolidine-2-carbonitrile
Equa
Vitagliptin
Vildagliptin (JAN/USAN/INN)
DTXSID80881091
A10BD08
Vildagliptin [USAN]
2-PYRROLIDINECARBONITRILE, 1-(((3-HYDROXYTRICYCLO(3.3.1.1(SUP 3,7))DEC-1-YL)AMINO)ACETYL)-, (2S)-

MDL Number

MFCD08275142

Customs Code

2933990090

FAQ

What is (2S)-1-(2-{[(1R,5S,7S)-3-hydroxyadamantan-1-yl]amino}acetyl)pyrrolidine-2-carbonitrile (CAS: 274901-16-5)?

The compound (2S)-1-(2-{[(1R,5S,7S)-3-hydroxyadamantan-1-yl]amino}acetyl)pyrrolidine-2-carbonitrile, with CAS number 274901-16-5, is a synthetic organic compound characterized by a pyrrolidine ring linked to a nitrile group and an amino acid side chain. It exhibits structural complexity due to the presence of multiple stereocenters and is often used in pharmaceutical research as a potential drug candidate.

What are the main uses of (2S)-1-(2-{[(1R,5S,7S)-3-hydroxyadamantan-1-yl]amino}acetyl)pyrrolidine-2-carbonitrile (CAS: 274901-16-5)?

This compound is primarily used in pharmaceutical development for its potential as an inhibitor of specific enzymes and its ability to modulate biological pathways. It may also find applications in organic synthesis and research related to drug discovery, due to its structural versatility and reactivity.

Is (2S)-1-(2-{[(1R,5S,7S)-3-hydroxyadamantan-1-yl]amino}acetyl)pyrrolidine-2-carbonitrile (CAS: 274901-16-5) safe?

Safety data for this compound is limited, but it is generally considered to have moderate toxicity potential. Handling should be done with appropriate personal protective equipment (PPE) such as gloves and goggles. It is recommended to follow standard laboratory safety protocols and consult safety data sheets (SDS) for detailed information on exposure limits and protective measures.

How should (2S)-1-(2-{[(1R,5S,7S)-3-hydroxyadamantan-1-yl]amino}acetyl)pyrrolidine-2-carbonitrile (CAS: 274901-16-5) be stored?

The compound should be stored in a cool, dry, and dark place, ideally at 2-8°C. It is sensitive to moisture and light, so it must be kept in a sealed, airtight container. Storage should also avoid exposure to air and strong oxidizing agents to maintain stability and prevent degradation.