CAS RN: 2070009-26-4
pGlu-Pro-Arg-MNA (monoacetate)
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260416 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2070009-26-4
- Purity/Analytical Methods: >99.0%
2070009-26-4 / acetic acid;(2S)-N-[(2S)-5-(diaminomethylideneamino)-1-(2-methoxy-4-nitroanilino)-1-oxopentan-2-yl]-1-[(2S)-5-oxopyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
Basic Information
CAS
2070009-26-4
Multi CAS
No
Molecular Formula
C25H36N8O9
Molecular Weight
592.600000
Exact Mass
592.260525
SMILES
CC(=O)O.COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]3CCC(=O)N3
InChI
InChI=1S/C23H32N8O7.C2H4O2/c1-38-18-12-13(31(36)37)6-7-14(18)28-20(33)15(4-2-10-26-23(24)25)29-21(34)17-5-3-11-30(17)22(35)16-8-9-19(32)27-16;1-2(3)4/h6-7,12,15-17H,2-5,8-11H2,1H3,(H,27,32)(H,28,33)(H,29,34)(H4,24,25,26);1H3,(H,3,4)/t15-,16-,17-;/m0./s1
InChIKey
NPFQYEIMISHQDL-FRKSIBALSA-N
Computed Properties
Structural Parameters
Heavy atom count
42
Aromatic heavy atom count
6
Fraction Csp3
0.52
Rotatable bonds
11
H-bond acceptors
9
H-bond donors
6
Molar refractivity
149.33
TPSA
261.68
LogP / Solubility
WLOGP
-0.56
MLOGP
-0.44
XLogP3
-0.56
Consensus LogP
-0.52
Log S (ESOL)
-2.54
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.37
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.73
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5
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