CAS RN: 1020412-97-8
Tie-2 Inhibitor 7
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260228 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1020412-97-8
- Purity/Analytical Methods: >99.0%
1020412-97-8 / 5-[4-[[[2-[[(1S)-1-cyclohexylethyl]amino]-2-oxoethyl]-(4-methylphenoxy)carbonylamino]methyl]phenyl]pyridine-3-carboxylic acid
Tie2 Inhibitor 7 | Tie-2 Inhibitor 7 | (S)-5-(4-(((2-((1-Cyclohexylethyl)amino)-2-oxoethyl)((p-tolyloxy)carbonyl)amino)methyl)phenyl)nicotinic acid
Basic Information
CAS
1020412-97-8
Multi CAS
Yes
Molecular Formula
C31H35N3O5
Molecular Weight
529.600000
Exact Mass
529.257671
SMILES
CC1=CC=C(C=C1)OC(=O)N(CC2=CC=C(C=C2)C3=CC(=CN=C3)C(=O)O)CC(=O)N[C@@H](C)C4CCCCC4
InChI
InChI=1S/C31H35N3O5/c1-21-8-14-28(15-9-21)39-31(38)34(20-29(35)33-22(2)24-6-4-3-5-7-24)19-23-10-12-25(13-11-23)26-16-27(30(36)37)18-32-17-26/h8-18,22,24H,3-7,19-20H2,1-2H3,(H,33,35)(H,36,37)/t22-/m0/s1
InChIKey
GHHDFOFSMBLLDX-QFIPXVFZSA-N
Synonyms
Tie2 Inhibitor 7
Tie-2 Inhibitor 7
(S)-5-(4-(((2-((1-Cyclohexylethyl)amino)-2-oxoethyl)((p-tolyloxy)carbonyl)amino)methyl)phenyl)nicotinic acid
Tie2 kinase inhibitor 2
5-[4-[[[2-[[(1S)-1-cyclohexylethyl]amino]-2-oxoethyl]-(4-methylphenoxy)carbonylamino]methyl]phenyl]pyridine-3-carboxylic acid
Computed Properties
Structural Parameters
Heavy atom count
39
Aromatic heavy atom count
18
Fraction Csp3
0.35
Rotatable bonds
9
H-bond acceptors
5
H-bond donors
2
Molar refractivity
148.42
TPSA
108.83
LogP / Solubility
WLOGP
5.84
MLOGP
5.18
XLogP3
5.8
Consensus LogP
5.61
Log S (ESOL)
-6.55
Class (ESOL)
Insoluble
Log S (Ali)
-8.12
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.03
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.8
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
5
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