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Chemical structure of TREM2-IN-1

GC75705

TREM2-IN-1

Also known as cyclohexane-1,2-diamine;oxalate;bis(4-oxo-4-[[(1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]butanoate);platinum(4+)

TREM2-IN-1 (OPA) is a TREM2 inhibitor derived from oxaliplatin and artesunate

ChemicalCAS2000236-36-0MW1164.12FormulaC46H68N2O20Pt
CAS number
2000236-36-0
Molecular weight
1164.12
Formula
C46H68N2O20Pt
Solubility
DMSO： 100 mg/mL (85·90 mM; Need ultrasonic)
InChIKey
MQZOUVOOWQRZHH-LYSWAWEJSA-J
Catalogue number
GC75705
Brand
GLPBIO
Computed properties PubChem CID 176419014 · TPSA 339 Ų · H-bond donors 2 · H-bond acceptors 22
TPSA
339 Ų
H-bond donors
2
H-bond acceptors
22
Rotatable bonds
12
Heavy atoms
69

SMILES C[C@@H]1CC[C@H]2[C@H]([C@@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)OC(=O)CCC(=O)[O-])C.C[C@@H]1CC[C@H]2[C@H]([C@@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)OC(=O)CCC(=O)[O-])C.C1CCC(C(C1)N)N.C(=O)(C(=O)[O-])[O-].[Pt+4]

Computed descriptors from PubChem (CID 176419014), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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