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Chemical structure of TC 14012

GC17122

TC 14012

Also known as (3R,6S,9S,12S,15R,20R,23S,26S,29S,32S)-6-(4-aminobutyl)-N-[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]-15-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-26-(3-carbamimidamidopropyl)-3,9,23-tris[3-(carbamoylamino)propyl]-12,29-bis[(4-hydroxyphenyl)methyl]-2,5,8,11,14,22,25,28,31-nonaoxo-17,18-dithia-1,4,7,10,13,21,24,27,30-nonazabicyclo[30.3.0]pentatriacontane-20-carboxamide

TC14012, a serum-stable derivative of T140, is a selective and peptidomimetic CXCR4 antagonist with an IC50 of 19·3 nM

ChemicalCAS368874-34-4MW2066.43FormulaC90H140N34O19S2
CAS number
368874-34-4
Molecular weight
2066.43
Formula
C90H140N34O19S2
Solubility
DMSO ： 25 mg/mL (12·10 mM; Need ultrasonic)
InChIKey
SGDDHDBBOJNZKY-LNDHEDFZSA-N
Catalogue number
GC17122
Brand
GLPBIO
Computed properties PubChem CID 16130651 · XLogP -5.6 · TPSA 969 Ų · H-bond donors 35
XLogP
-5.6
TPSA
969 Ų
H-bond donors
35
H-bond acceptors
27
Rotatable bonds
51
Heavy atoms
145

SMILES C1C[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N2C1)CCCNC(=O)N)CCCCN)CCCNC(=O)N)CC3=CC=C(C=C3)O)NC(=O)[C@H](CC4=CC5=CC=CC=C5C=C4)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N)CCCNC(=O)N)CCCNC(=N)N)CC6=CC=C(C=C6)O

Computed descriptors from PubChem (CID 16130651), 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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