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CAS 1095173-27-5 Glasdegib molecular structure lightbox
CAS RN: 1095173-27-5

Glasdegib

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Batchno.20250518 100mg In stock Shanghai Inquiry
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Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251021 5mg / 25mg / 100mg / 250mg / 1g Confirm by inquiry Shanghai, Guangdong 5-7 business days Inquiry
  • Product code: starshine_CAS1095173-27-5
  • Purity/Analytical Methods: >99.0%
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1095173-27-5 / 1-[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3-(4-cyanophenyl)urea

Glasdegib | PF-04449913 | PF 04449913

Standard CAS: 1095173-27-5 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1095173-27-5
Multi CAS
Yes
Molecular Formula
C21H22N6O
Molecular Weight
374.400000
Exact Mass
374.185509
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
Synonyms
Glasdegib PF-04449913 PF 04449913 glasdegibum 1-[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3-(4-cyanophenyl)urea

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
15
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
3
Molar refractivity
107.8
TPSA
96.84

LogP / Solubility

WLOGP
3.39
MLOGP
3.01
XLogP3
2.4
Consensus LogP
2.93
Log S (ESOL)
-4.5
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.27
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.6

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

Safety & Transport

Pictogram(s)
Health Hazard
Signal
Danger
GHS Hazard Statements
H360 (25%): May damage fertility or the unborn child [Danger Reproductive toxicity] H361 (75%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity] H373 (100%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
Precautionary Statement Codes
P203, P260, P280, P318, P319, P405, and P501

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