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Chemical structure of UT-B-IN-1

GC70608

UT-B-IN-1

Also known as 10-(4-ethylphenyl)sulfonyl-N-(thiophen-2-ylmethyl)-5-thia-1,8,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-7-amine

UT-B-IN-1 (UTBINH-14) is a reversible, competitive and selective urea transporter-B (UT-B) inhibitor with IC50 values of 10 and 25 nM for human and mouse UT-B, respectively

ChemicalCAS892742-76-6MW455.58FormulaC20H17N5O2S3
CAS number
892742-76-6
Molecular weight
455.58
Formula
C20H17N5O2S3
Solubility
DMSO ： 100 mg/mL (219·50 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
InChIKey
UYFZCWXRMHSLTC-UHFFFAOYSA-N
Catalogue number
GC70608
Brand
GLPBIO
Computed properties PubChem CID 16019476 · XLogP 4.3 · TPSA 154 Ų · H-bond donors 1
XLogP
4.3
TPSA
154 Ų
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
30

SMILES CCC1=CC=C(C=C1)S(=O)(=O)C2=C3N=C(C4=C(N3N=N2)C=CS4)NCC5=CC=CS5

Computed descriptors from PubChem (CID 16019476), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
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