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CAS 1092460-91-7 RAGE antagonist peptide molecular structure lightbox
CAS RN: 1092460-91-7

RAGE antagonist peptide

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250517 10mg / 25mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1092460-91-7
  • Purity/Analytical Methods: >99.0%
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1092460-91-7 / (4S)-4-acetamido-5-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

RAGE antagonist peptide | RAGE antagonist peptide TFA | orb1679416

Standard CAS: 1092460-91-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1092460-91-7
Multi CAS
Yes
Molecular Formula
C57H101N13O17S
Molecular Weight
1272.600000
Exact Mass
1271.715910
SMILES
CC(C)C[C@@H](C(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)C
InChI
InChI=1S/C57H101N13O17S/c1-30(2)27-41(48(60)78)67-52(82)39(19-22-46(76)77)64-49(79)35(15-11-13-24-58)62-51(81)38(18-21-45(74)75)65-53(83)40(23-26-88-10)66-56(86)43(29-32(5)6)69-57(87)47(33(7)8)70-54(84)36(16-12-14-25-59)63-55(85)42(28-31(3)4)68-50(80)37(61-34(9)71)17-20-44(72)73/h30-33,35-43,47H,11-29,58-59H2,1-10H3,(H2,60,78)(H,61,71)(H,62,81)(H,63,85)(H,64,79)(H,65,83)(H,66,86)(H,67,82)(H,68,80)(H,69,87)(H,70,84)(H,72,73)(H,74,75)(H,76,77)/t35-,36-,37-,38-,39-,40-,41-,42-,43-,47-/m0/s1
InChIKey
UPCWJIBXKJZZLN-RBQIHDOFSA-N
Synonyms
RAGE antagonist peptide RAGE antagonist peptide TFA orb1679416 SCHEMBL31024301 AKOS032947195

Computed Properties

Structural Parameters

Heavy atom count
88
Fraction Csp3
0.75
Rotatable bonds
47
H-bond acceptors
17
H-bond donors
16
Molar refractivity
326.8
TPSA
498.03

LogP / Solubility

WLOGP
-1.26
MLOGP
-0.98
XLogP3
-4.4
Consensus LogP
-2.21
Log S (ESOL)
-3.83
Class (ESOL)
Poorly soluble
Log S (Ali)
-9.08
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.53
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)
-11.38

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
9

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