Products for Research Use Only
RegisterLogin

Gilteritinib

CAT: 0127-BUP15308-02Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0127-BUP15308-02Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1254053-43-4
Synonyms
ASP2215
Purity
=95%
Smiles
CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N3CCN(C)CC3)c(OC)c2)nc1NC1CCOCC1

Chemical Information

Gilteritinib

Gilteritinib is a member of the class of pyrazines that is pyrazine-2-carboxamide which is substituted by {3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}nitrilo, (oxan-4-yl)nitrilo and ethyl groups at positions 3,5 and 6, respectively. It is a potent inhibitor of FLT3 and AXL tyrosine kinase receptors (IC50 = 0.29 nM and 0.73 nM, respectively). Approved by the FDA for the treatment of acute myeloid leukemia in patients who have a FLT3 gene mutation. It has a role as an antineoplastic agent, an EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor and an apoptosis inducer. It is a primary carboxamide, a monomethoxybenzene, a member of piperidines, an aromatic amine, a member of pyrazines, a N-methylpiperazine, a member of oxanes and a secondary amino compound.

CAS Number1254053-43-4
PubChem CID49803313
IUPAC Name6-ethyl-3-[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-5-(oxan-4-ylamino)pyrazine-2-carboxamide
Molecular FormulaC29H44N8O3
Molecular Weight552.7
XLogP3.5
Topological Polar Surface Area121
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Heavy Atom Count40
Formal Charge0
Complexity785
SMILES
CCC1=C(N=C(C(=N1)C(=O)N)NC2=CC(=C(C=C2)N3CCC(CC3)N4CCN(CC4)C)OC)NC5CCOCC5
InChI
InChI=1S/C29H44N8O3/c1-4-23-28(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/h5-6,19-20,22H,4,7-18H2,1-3H3,(H2,30,38)(H2,31,32,34)
InChIKey
GYQYAJJFPNQOOW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Gilteritinib
CAS: 1254053-43-4
CID: 49803313
Formula: C29H44N8O3
MW: 552.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight552.7
XLogP33.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Exact Mass552.35363730
Monoisotopic Mass552.35363730
Topological Polar Surface Area121 Ų
Heavy Atom Count40
Formal Charge0
Complexity785
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
B1294-5Gilteritinib
C10168-5mgGilteritinib hemifumarate
S7754-25mgGilteritinib (ASP2215)
CS-T-103433Gilteritinib d5
HY-12432R-01Gilteritinib (Standard)

Popular Products