CAS RN: 1197160-28-3
PKI-179
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250506 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250907 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250112 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250401 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250725 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260309 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1197160-28-3
- Purity/Analytical Methods: >99.0%
1197160-28-3 / 1-[4-[4-morpholin-4-yl-6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,3,5-triazin-2-yl]phenyl]-3-pyridin-4-ylurea
1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-morpholino-1,3,5-triazin-2-yl)phenyl)-3-(pyridin-4-yl)urea | 1-(4-(4-(3-oxa-8-azabicyclo(3.2.1)octan-8-yl)-6-morpholino-1,3,5-triazin-2-yl)phenyl)-3-(pyridin-4-yl)urea | RefChem:907326
Basic Information
CAS
1197160-28-3
Multi CAS
Yes
Molecular Formula
C25H28N8O3
Molecular Weight
488.500000
Exact Mass
488.228437
SMILES
C1CC2COCC1N2C3=NC(=NC(=N3)N4CCOCC4)C5=CC=C(C=C5)NC(=O)NC6=CC=NC=C6
InChI
InChI=1S/C25H28N8O3/c34-25(28-19-7-9-26-10-8-19)27-18-3-1-17(2-4-18)22-29-23(32-11-13-35-14-12-32)31-24(30-22)33-20-5-6-21(33)16-36-15-20/h1-4,7-10,20-21H,5-6,11-16H2,(H2,26,27,28,34)
InChIKey
WXUUCRLKXQMWRY-UHFFFAOYSA-N
Synonyms
1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-morpholino-1,3,5-triazin-2-yl)phenyl)-3-(pyridin-4-yl)urea
1-(4-(4-(3-oxa-8-azabicyclo(3.2.1)octan-8-yl)-6-morpholino-1,3,5-triazin-2-yl)phenyl)-3-(pyridin-4-yl)urea
RefChem:907326
PKI-179
1-[4-[4-morpholin-4-yl-6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,3,5-triazin-2-yl]phenyl]-3-pyridin-4-ylurea
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
18
Fraction Csp3
0.4
Rotatable bonds
5
H-bond acceptors
9
H-bond donors
2
Molar refractivity
135.28
TPSA
117.63
LogP / Solubility
WLOGP
2.78
MLOGP
2.48
XLogP3
1.9
Consensus LogP
2.39
Log S (ESOL)
-4.66
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.57
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.74
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)
-3.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
8.5
Customers Also Viewed
-
![CAS 1197160-66-9 4-[({4-[bis(morpholin-4-yl)-1,3,5-triazin-2-yl]phenyl}carbamoyl)amino]benzoic acid molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
4-[({4-[bis(morpholin-4-yl)-1,3,5-triazin-2-yl]phenyl}carbamoyl)amino]benzoic acid
- CAS RN: 1197160-66-9
- Product Code: SSC-020404
-
-
N-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
- CAS RN: 1197171-76-8
- Product Code: SSC-020407
-
Triphenyl(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)silane
- CAS RN: 1197180-13-4
- Product Code: starshine_CAS1197180-13-4
- Purity/Analytical method: >99.0%
-
-
4-(Methylsulfonyl)-3-piperazinobenzoic Acid
- CAS RN: 1197193-03-5
- Product Code: SSC-020411
![CAS 1197160-66-9 4-[({4-[bis(morpholin-4-yl)-1,3,5-triazin-2-yl]phenyl}carbamoyl)amino]benzoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1197160-66-9.gif)
