safusidenib , CAS No.1898206-17-1, Inhibitor of isocitrate dehydrogenase (NADP(+)) 1

Item Number

S613397

Grouped product items
SKU	Size	Availability	Price	Qty
S613397-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$700.90
S613397-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,000.90

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Basic Description

Synonyms	2-Propenoic acid, 3-[1-[[5-(1-fluoro-1-methylethyl)-3-(2,4,6-trichlorophenyl)-4-isoxazolyl]carbonyl]-3-methyl-1H-indol-4-yl]-, (2E)- \| HY-145594 \| BDBM278559 \| RCK8KK7SB9 \| (E)-3-(1-(5-(2-Fluoropropan-2-yl)-3-(2,4,6-trichlorophenyl)isoxazole-4-carbonyl)-3
Specifications & Purity	Moligand™
Grade	Moligand™
Action Type	INHIBITOR
Mechanism of action	Inhibitor of isocitrate dehydrogenase (NADP(+)) 1

Names and Identifiers

IUPAC Name	(E)-3-[1-[5-(2-fluoropropan-2-yl)-3-(2,4,6-trichlorophenyl)-1,2-oxazole-4-carbonyl]-3-methylindol-4-yl]prop-2-enoic acid
INCHI	InChI=1S/C25H18Cl3FN2O4/c1-12-11-31(17-6-4-5-13(19(12)17)7-8-18(32)33)24(34)21-22(30-35-23(21)25(2,3)29)20-15(27)9-14(26)10-16(20)28/h4-11H,1-3H3,(H,32,33)/b8-7+
InChi Key	BOOMBLZEOHXPPX-BQYQJAHWSA-N
Canonical SMILES	FC(C)(C)c1c(c(no1)c1c(cc(cc1Cl)Cl)Cl)C(=O)n1cc(c2c(cccc12)/C=C/C(=O)O)C
Isomeric SMILES	CC1=CN(C2=CC=CC(=C12)/C=C/C(=O)O)C(=O)C3=C(ON=C3C4=C(C=C(C=C4Cl)Cl)Cl)C(C)(C)F
PubChem CID	130306983

References

1. Nakagawa M, Nakatani F, Matsunaga H, Seki T, Endo M, Ogawara Y, Machida Y, Katsumoto T, Yamagata K, Hattori A et al.. (2019) Selective inhibition of mutant IDH1 by DS-1001b ameliorates aberrant histone modifications and impairs tumor activity in chondrosarcoma.. Oncogene, 38 (42): (6835-6849). [PMID:31406254] [10.1021/op500134e]
2. Machida Y, Nakagawa M, Matsunaga H, Yamaguchi M, Ogawara Y, Shima Y, Yamagata K, Katsumoto T, Hattori A, Itoh M et al.. (2020) A Potent Blood-Brain Barrier-Permeable Mutant IDH1 Inhibitor Suppresses the Growth of Glioblastoma with IDH1 Mutation in a Patient-Derived Orthotopic Xenograft Model.. Mol Cancer Ther, 19 (2): (375-383). [PMID:31727689] [10.1021/op500134e]

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Basic Description