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Glasdegib

CAT: 0127-BUP02848-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP02848-05Size:50 mg
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CAS Number
1095173-27-5
Synonyms
PF-04449913
Purity
=98%
Smiles
CN1CC[C@H](C[C@@H]1c1nc2ccccc2[nH]1)NC(=O)Nc1ccc(cc1)C#N

Chemical Information

Glasdegib

Glasdegib is a member of the class of benzimidazoles that is 1H-benzimidazole which is substituted by a (2R,4S)-4-{[(4-cyanophenyl)carbamoyl]amino}-1-methylpiperidin-2-yl group at position 2. It is a hedgehog signalling pathway inhibitor that acts by binding to Smoothened (SMO) receptors and blocking signal transduction (IC50 = 5 nM). It is used in combination with low-dose cytarabine, for the treatment of newly-diagnosed acute myeloid leukemia (AML) in adult patients (aged 75 years), or who have medical conditions that prevent the use of standard chemotherapy. It has a role as a Hedgehog signaling pathway inhibitor, an antineoplastic agent and a SMO receptor antagonist. It is a member of phenylureas, a nitrile, a member of benzimidazoles and a member of piperidines.

CAS Number1095173-27-5
PubChem CID25166913
IUPAC Name1-[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3-(4-cyanophenyl)urea
Molecular FormulaC21H22N6O
Molecular Weight374.4
XLogP2.4
Topological Polar Surface Area96.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity595
SMILES
CN1CC[C@H](C[C@@H]1C2=NC3=CC=CC=C3N2)NC(=O)NC4=CC=C(C=C4)C#N
InChI
InChI=1S/C21H22N6O/c1-27-11-10-16(24-21(28)23-15-8-6-14(13-22)7-9-15)12-19(27)20-25-17-4-2-3-5-18(17)26-20/h2-9,16,19H,10-12H2,1H3,(H,25,26)(H2,23,24,28)/t16-,19-/m1/s1
InChIKey
SFNSLLSYNZWZQG-VQIMIIECSA-N
Chemical Structure
2D Structure
2D structure of Glasdegib
CAS: 1095173-27-5
CID: 25166913
Formula: C21H22N6O
MW: 374.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight374.4
XLogP32.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass374.18550935
Monoisotopic Mass374.18550935
Topological Polar Surface Area96.8 Ų
Heavy Atom Count28
Formal Charge0
Complexity595
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T6514-01Glasdegib
HY-16391R-01Glasdegib (Standard)
HY-16391S1Glasdegib-d4
T71455-01Glasdegib hydrochloride
HY-16391AGlasdegib (maleate)
564805Glasdegib Maleate
HY-16391BGlasdegib (hydrochloride)
205582Glasdegib (PF-04449913)
A13881-50Glasdegib (PF-04449913) 50mg
A13881-5Glasdegib (PF-04449913) 5mg

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