[email protected]
CAS 196305-05-2 PAMP-12 (human, porcine) molecular structure lightbox
CAS RN: 196305-05-2

PAMP-12 (human, porcine)

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250406 5mg / 25mg / 50mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS196305-05-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

196305-05-2 / (2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-N-[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]butanediamide

Standard CAS: 196305-05-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
196305-05-2
Multi CAS
No
Molecular Formula
C77H119N25O14
Molecular Weight
1618.900000
Exact Mass
1617.936834
SMILES
C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC5=CC=CC=C5)N
InChI
InChI=1S/C77H119N25O14/c1-43(2)35-58(72(113)102-62(42-103)75(116)93-53(64(83)105)28-17-33-88-76(84)85)98-65(106)44(3)92-71(112)59(37-46-40-90-51-23-9-7-21-48(46)51)99-70(111)56(27-13-16-32-80)97-74(115)61(39-63(82)104)101-73(114)60(38-47-41-91-52-24-10-8-22-49(47)52)100-69(110)55(26-12-15-31-79)96-67(108)54(25-11-14-30-78)95-68(109)57(29-18-34-89-77(86)87)94-66(107)50(81)36-45-19-5-4-6-20-45/h4-10,19-24,40-41,43-44,50,53-62,90-91,103H,11-18,25-39,42,78-81H2,1-3H3,(H2,82,104)(H2,83,105)(H,92,112)(H,93,116)(H,94,107)(H,95,109)(H,96,108)(H,97,115)(H,98,106)(H,99,111)(H,100,110)(H,101,114)(H,102,113)(H4,84,85,88)(H4,86,87,89)/t44-,50-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-/m0/s1
InChIKey
DNUWKYBPCFUDDK-DYQOJKGJSA-N

Computed Properties

Structural Parameters

Heavy atom count
116
Aromatic heavy atom count
24
Fraction Csp3
0.52
Rotatable bonds
54
H-bond acceptors
20
H-bond donors
26
Molar refractivity
435.6
TPSA
685.97

LogP / Solubility

WLOGP
-4.33
MLOGP
-3.64
XLogP3
-2.7
Consensus LogP
-3.56
Log S (ESOL)
-3.74
Class (ESOL)
Poorly soluble
Log S (Ali)
-9.71
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.07
Class (SILICOS-IT)
Insoluble

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)
-15.67

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
10

Customers Also Viewed

Get In Touch

Contact Us