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Glasdegib hydrochloride

CAT: 0013-GTR19209222-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209222-01Size:25 mg
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Description
Glasdegib hydrochloride is a Hedgehog pathway inhibitor used in cancer research. It has demonstrated antitumor activity in both in vitro assays and in vivo models, supporting its investigation in malignancies driven by aberrant Hh signaling, such as certain leukemias and solid tumors.
CAS Number
1095173-64-0
Field of Research
Pharmacology & Drug Discovery, Stem Cell & Developmental Biology
Smiles
CN1[C@@H] (C=2NC=3C (N2) =CC=CC3) C[C@H] (NC (NC4=CC=C (C#N) C=C4) =O) CC1.Cl
Molecular Formula
C21H23ClN6O
Molecular Weight
410.9
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Glasdegib hydrochloride
CAS Number1095173-64-0
PubChem CID67266401
IUPAC Name1-[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3-(4-cyanophenyl)urea;hydrochloride
Molecular FormulaC21H23ClN6O
Molecular Weight410.9
Topological Polar Surface Area96.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity595
SMILES
CN1CC[C@H](C[C@@H]1C2=NC3=CC=CC=C3N2)NC(=O)NC4=CC=C(C=C4)C#N.Cl
InChI
InChI=1S/C21H22N6O.ClH/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);1H/t16-,19-;/m1./s1
InChIKey
OCHAAZGYSAHXOF-LJLRIERRSA-N
Chemical Structure
2D Structure
2D structure of Glasdegib hydrochloride
CAS: 1095173-64-0
CID: 67266401
Formula: C21H23ClN6O
MW: 410.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight410.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass410.1621871
Monoisotopic Mass410.1621871
Topological Polar Surface Area96.8 Ų
Heavy Atom Count29
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 Count2
Compound Is CanonicalizedYes

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Alternative Products

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T71455-01Glasdegib hydrochloride
HY-16391BGlasdegib (hydrochloride)
T6514-01Glasdegib
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HY-16391S1Glasdegib-d4
HY-16391AGlasdegib (maleate)
564805Glasdegib Maleate
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