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Chemical structure of hMC1R agonist 1

GC72325

hMC1R agonist 1

Also known as (5R,8S,11S,14R,17S,20R)-20-[[(2S)-2-acetamidohexanoyl]amino]-14-benzyl-11-[3-(diaminomethylideneamino)propyl]-17-(1H-imidazol-5-ylmethyl)-8-(1H-indol-3-ylmethyl)-7,10,13,16,19-pentaoxo-3,22-dithia-6,9,12,15,18-pentazabicyclo[22.3.1]octacosa-1(27),24(28),25-triene-5-carboxamide

(EC50=3 nM)· hMC1R agonist 1 shows at least 300-fold selectivity for hMC1R over hMC3R (b>EC50=902 nM), hMC4R (b>EC50=915 nM), and hMC5R (b>EC50=>1000 nM)

ChemicalCAS3028881-87-7MW1107.35FormulaC54H70N14O8S2
CAS number
3028881-87-7
Molecular weight
1107.35
Formula
C54H70N14O8S2
Solubility
DMSO ： 100 mg/mL (90·31 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
InChIKey
YBWGYSWBATYFBD-RQTVHLMQSA-N
Catalogue number
GC72325
Brand
GLPBIO
Computed properties PubChem CID 163196518 · XLogP 2.3 · TPSA 406 Ų · H-bond donors 12
XLogP
2.3
TPSA
406 Ų
H-bond donors
12
H-bond acceptors
12
Rotatable bonds
17
Heavy atoms
78

SMILES CCCC[C@@H](C(=O)N[C@H]1CSCC2=CC(=CC=C2)CSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CC3=CN=CN3)CC4=CC=CC=C4)CCCN=C(N)N)CC5=CNC6=CC=CC=C65)C(=O)N)NC(=O)C

Computed descriptors from PubChem (CID 163196518), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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