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Chemical structure of TDI-11861

GC70001

TDI-11861

Also known as [(3R)-4-[2-[2-[[3-(2-amino-6-chloropyrimidin-4-yl)-1-(difluoromethyl)pyrazol-4-yl]methyl]phenoxy]ethyl]morpholin-3-yl]methanol

TDI-11861 is a second-generation inhibitor of soluble adenylyl cyclase (sAC) with slow dissociation rate· TDI-11861 inhibits sAC with an IC50 of 5·5 nM

ChemicalCAS2857049-72-8MW494.92FormulaC22H25ClF2N6O3
CAS number
2857049-72-8
Molecular weight
494.92
Formula
C22H25ClF2N6O3
Solubility
DMSO ： 50 mg/mL (101·03 mM; Need ultrasonic)
InChIKey
XVGSKZXXLKUEIO-MRXNPFEDSA-N
Catalogue number
GC70001
Brand
GLPBIO
Computed properties PubChem CID 166101565 · XLogP 2.6 · TPSA 112 Ų · H-bond donors 2
XLogP
2.6
TPSA
112 Ų
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
9
Heavy atoms
34

SMILES C1COC[C@H](N1CCOC2=CC=CC=C2CC3=CN(N=C3C4=CC(=NC(=N4)N)Cl)C(F)F)CO

Computed descriptors from PubChem (CID 166101565), 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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Pricing
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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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