Name: Name:AG-120
Brand: Angene
SKU: AG00ABO3
Rating: 90 (10 reviews)

AG-120

CAS No.:

1448347-49-6

Catalog Number:

AG00ABO3

Molecular Formula:

C28H22ClF3N6O3

Molecular Weight:

582.9609

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

100mg

98+%

1 week

United States

$81

- +

Product Description

Catalog Number:

AG00ABO3

Chemical Name:

AG-120

CAS Number:

1448347-49-6

Molecular Formula:

C28H22ClF3N6O3

Molecular Weight:

582.9609

MDL Number:

MFCD29036964

IUPAC Name:

(2S)-N-[(1S)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-1-(4-cyanopyridin-2-yl)-N-(5-fluoropyridin-3-yl)-5-oxopyrrolidine-2-carboxamide

InChI:

InChI=1S/C28H22ClF3N6O3/c29-21-4-2-1-3-20(21)25(26(40)36-18-11-28(31,32)12-18)37(19-10-17(30)14-34-15-19)27(41)22-5-6-24(39)38(22)23-9-16(13-33)7-8-35-23/h1-4,7-10,14-15,18,22,25H,5-6,11-12H2,(H,36,40)/t22-,25-/m0/s1

InChI Key:

WIJZXSAJMHAVGX-DHLKQENFSA-N

SMILES:

N#Cc1ccnc(c1)N1C(=O)CC[C@H]1C(=O)N([C@@H](c1ccccc1Cl)C(=O)NC1CC(C1)(F)F)c1cncc(c1)F

UNII:

Q2PCN8MAM6

Properties

Complexity:

1050

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

582.139g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

582.968g/mol

Monoisotopic Mass:

582.139g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

119A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.4

Literature

Title	Journal
Durable Remissions with Ivosidenib in IDH1-Mutated Relapsed or Refractory AML.	The New England journal of medicine 20180621
Evidence for Clinical Differentiation and Differentiation Syndrome in Patients With Acute Myeloid Leukemia and IDH1 Mutations Treated With the Targeted Mutant IDH1 Inhibitor, AG-120.	Clinical lymphoma, myeloma & leukemia 20160801
Cancer-associated IDH1 mutations produce 2-hydroxyglutarate.	Nature 20091210

Properties