Divarasib - Moligand™, ≥98% , Inhibitor of KRAS, CAS No.2417987-45-0, Inhibitor of KRAS

CAS: 2417987-45-0 Cat. No.: D609917 Formula: C₂₉H₃₂ClF₄N₇O₂ Molecular Weight: 622.06 PubChem CID: 146624881

GRADE & PURITY Moligand™, ≥98%

Synonyms

Divarasib [INN]|GDC 6036 [WHO-DD]|Divarasib|(Z)-2-butenedioic acid; 2-[(E)-[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanamine|RG6330|RG-6330|delta-Aluminum oxide|1-{(3S)-4-[(7M)-7-[6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl]-6-chloro-8-fluoro-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}quinazolin-4-yl]-3-methylpiperazin-1-yl}prop-2-en-1-one|Divarasib [WHO-DD]|Gdc 6036|2-Propen-1-one, 1-((3S)-4-((7R)-7-(6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl)-6-chloro-8-fluoro-2-(((2S)-1-methyl-2-pyrrolidinyl)methoxy)-4-quinazolinyl)-3-methyl-1-piperazinyl)-|1-((3S)-4-((7m)-7-(6-Amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl)-6-chloro-8-fluoro-2-(((2S)-1-methylpyrrolidin-2-yl)methoxy)quinazolin-4-yl)-3-methylpiperazin-1-yl)prop-2-en-1-one|DIVARASIB [USAN]|GDC6036|GDC-6036|1-((S)-4-((R)-7-(6-Amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl)-6-chloro-8-fluoro-2-(((S)-1-methylpyrrolidin-2-yl)methoxy)quinazolin-4-yl)-3-methylpiperazin-1-yl)prop-2-en-1-one|2-Propen-1-one, 1-[(3S)-4-[(7R)-7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-8-fluoro-2-[[(2S)-1-methyl-2-pyrrolidinyl]methoxy]-4-quinazolinyl]-3-methyl-1-piperazinyl]-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

Divarasib [INN] | GDC 6036 [WHO-DD] | Divarasib | (Z)-2-butenedioic acid; 2-[(E)-[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanamine | RG6330 | RG-6330 | delta-Aluminum oxide | 1-{(3S)-4-[(7M)-7-[6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl]-6-chloro-8-fluoro-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}quinazolin-4-yl Show more

Specifications & Purity

Moligand™, ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of KRAS

Purity

≥98%

Names and Identifiers

Canonical Smiles

C[C@H]1CN(CCN1C2=NC(=NC3=C(C(=C(C=C32)Cl)C4=C(C(=CC(=N4)N)C)C(F)(F)F)F)OC[C@@H]5CCCN5C)C(=O)C=C

Isomeric SMILES

C[C@H]1CN(CCN1C2=NC(=NC3=C(C(=C(C=C32)Cl)C4=C(C(=CC(=N4)N)C)C(F)(F)F)F)OC[C@@H]5CCCN5C)C(=O)C=C

PubChem CID

146624881

Molecular Weight

622.06

Associated Targets(Human)

KRAS Tclin GTPase KRas (0 Activities)

Discover Target: KRAS

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 622.100 g/mol
• XLogP3: 5.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 6
• Exact Mass: 621.224 Da
• Monoisotopic Mass: 621.224 Da
• Topological Polar Surface Area: 101.000 Ų
• Heavy Atom Count: 43
• Formal Charge: 0
• Complexity: 997.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1