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Gilteritinib hemifumarate

CAT: 0926-EAC05384-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-EAC05384-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1254053-84-3
MDL Number
MFCD28386208
Smiles
CCC1=C (N=C (C (=N1) C (=O) N) NC2=CC (=C (C=C2) N3CCC (CC3) N4CCN (CC4) C) OC) NC5CCOCC5.CCC1=C (N=C (C (=N1) C (=O) N) NC2=CC (=C (C=C2) N3CCC (CC3) N4CCN (CC4) C) OC) NC5CCOCC5.C (=CC (=O) O) C (=O) O
Molecular Formula
C62H92N16O10
Molecular Weight
1,221.5 g/mol
Controlled
No

Chemical Information

Gilteritinib Fumarate

Gilteritinib Fumarate is the fumarate salt form of gilteritinib, an orally bioavailable inhibitor of the receptor tyrosine kinases (RTKs) FMS-like tyrosine kinase 3 (FLT3; STK1; FLK2), AXL (UFO; JTK11), anaplastic lymphoma kinase (ALK; CD246), and leukocyte receptor tyrosine kinase (LTK), with potential antineoplastic activity. Upon administration, gilteritinib binds to and inhibits both the wild-type and mutated forms of FLT3, AXL, ALK and LTK. This may result in an inhibition of FLT3-, AXL-, ALK-, and LTK-mediated signal transduction pathways and reduced proliferation in cancer cells that overexpress these RTKs. FLT3, AXL, ALK, and LTK, which are overexpressed or mutated in a variety of cancer cell types, play key roles in tumor cell growth and survival.

CAS Number1254053-84-3
PubChem CID76970819
IUPAC Name(E)-but-2-enedioic acid;bis(6-ethyl-3-[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-5-(oxan-4-ylamino)pyrazine-2-carboxamide)
Molecular FormulaC62H92N16O10
Molecular Weight1221.5
Topological Polar Surface Area317
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count24
Rotatable Bond Count20
Heavy Atom Count88
Formal Charge0
Complexity904
SMILES
CCC1=C(N=C(C(=N1)C(=O)N)NC2=CC(=C(C=C2)N3CCC(CC3)N4CCN(CC4)C)OC)NC5CCOCC5.CCC1=C(N=C(C(=N1)C(=O)N)NC2=CC(=C(C=C2)N3CCC(CC3)N4CCN(CC4)C)OC)NC5CCOCC5.C(=C/C(=O)O)\C(=O)O
InChI
InChI=1S/2C29H44N8O3.C4H4O4/c2*1-4-23-28(31-20-9-17-40-18-10-20)34-29(26(33-23)27(30)38)32-21-5-6-24(25(19-21)39-3)37-11-7-22(8-12-37)36-15-13-35(2)14-16-36;5-3(6)1-2-4(7)8/h2*5-6,19-20,22H,4,7-18H2,1-3H3,(H2,30,38)(H2,31,32,34);1-2H,(H,5,6)(H,7,8)/b;;2-1+
InChIKey
UJOUWHLYTQFUCU-WXXKFALUSA-N
Chemical Structure
2D Structure
2D structure of Gilteritinib Fumarate
CAS: 1254053-84-3
CID: 76970819
Formula: C62H92N16O10
MW: 1221.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1221.5
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count24
Rotatable Bond Count20
Exact Mass1220.71823320
Monoisotopic Mass1220.71823320
Topological Polar Surface Area317 Ų
Heavy Atom Count88
Formal Charge0
Complexity904
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
C10168-5mgGilteritinib hemifumarate
HY-12432AR-01Gilteritinib hemifumarate (Standard)
A18235-100Gilteritinib hemifumarate 100mg
A18235-1Gilteritinib hemifumarate 1mg
A18235-5Gilteritinib hemifumarate 5mg
A18235-50Gilteritinib hemifumarate 50mg
A18235-25Gilteritinib hemifumarate 25mg
A18235-10Gilteritinib hemifumarate 10mg
B1294-5Gilteritinib

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