JI6

CAT: 0931-T64370-07Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0931-T64370-07Size:500 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

856436-16-3

Target

JAK, FLT, c-Kit

Related Pathways

Chromatin/Epigenetic, Angiogenesis, JAK/STAT signaling, Stem Cells, Tyrosine Kinase/Adaptors

Purity

0.9864

Bioactivity

JI6 (JAK3 Inhibitor VI) is a potent, selective and orally active FLT3 inhibitor. JI6 exhibits IC50s of ∼40, 8, and 4 nM for FLT3-WT, FLT3-D835Y, and FLT3-D835H, respectively. JI6 also inhibits c-Kit and JAK3, with IC50s of ∼500 and ∼250 nM, respectively. JI6 has research value in acute myeloid leukemia.

Smiles

CS(=O)(O)=O.O=C(/C1=C\C2=CC=CN2)NC(C=C3)=C1C=C3C4=CN=CC=C4

Molecular Formula

C19H17N3O4S

Molecular Weight

383.42

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

JAK3 inhibitor VI mesylate

CAS Number	856436-16-3
PubChem CID	16760524
IUPAC Name	methanesulfonic acid;(3Z)-5-pyridin-3-yl-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one
Molecular Formula	C19H17N3O4S
Molecular Weight	383.4
Topological Polar Surface Area	121
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	27
Formal Charge	0
Complexity	554

SMILES

CS(=O)(=O)O.C1=CC(=CN=C1)C2=CC\3=C(C=C2)NC(=O)/C3=C\C4=CC=CN4

InChI

InChI=1S/C18H13N3O.CH4O3S/c22-18-16(10-14-4-2-8-20-14)15-9-12(5-6-17(15)21-18)13-3-1-7-19-11-13;1-5(2,3)4/h1-11,20H,(H,21,22);1H3,(H,2,3,4)/b16-10-;

InChIKey

ZUDPNBZMAJGYTE-HYMQDMCPSA-N

Chemical Structure

2D Structure

CAS: 856436-16-3

CID: 16760524

Formula: C19H17N3O4S

MW: 383.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	383.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	383.09397721
Monoisotopic Mass	383.09397721
Topological Polar Surface Area	121 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	554
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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JI6

Chemical Information

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