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Glasdegib

CAT: 0013-GTR19169856-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19169856-05Size:25 mg
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Description
Glasdegib (PF-04449913) is a potent, orally active Smoothened (Smo) antagonist with an IC50 of 5 nM. This small molecule inhibitor is used in research to study Hedgehog signaling pathway dysregulation in cancers, demonstrating activity in both in vitro assays and in vivo models.
CAS Number
1095173-27-5
Product Name Alternative
Smo, Smoothened, PF 04449913, PF04449913, PF-04449913, Inhibitor, inhibit, Glasdegib, Hedgehog
Field of Research
Pharmacology & Drug Discovery, Stem Cell & Developmental Biology
Purity
98.00% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (5.34 mM) ; DMSO:48 mg/mL (128.19 mM) ; Ethanol:< 1 mg/mL (insoluble or slightly soluble) ; H2O:< 1 mg/mL (insoluble or slightly soluble)
Smiles
CN1CC[C@H] (C[C@@H]1c1nc2ccccc2[nH]1) NC (=O) Nc1ccc (cc1) C#N
Molecular Formula
C21H22N6O
Molecular Weight
374.44
Storage Conditions
-20°C
Notes
For research use only.

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
Loading 3D structure...
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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