Products for Research Use Only

Temocapil

CAT: 0013-GTR19167458-01Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19167458-01Size:1 ml x 10 mM (in DMSO)
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Description
Temocapril is a tyrosine kinase inhibitor used in biochemical research. It serves as a tool compound for studying kinase signaling pathways in both cellular (in vitro) and animal (in vivo) models of relevant diseases.
CAS Number
111902-57-9
Product Name Alternative
Redox proteins TRX, Temocapil, Temocapril, Temocaprilat, tyrosine kinase, renal diseases, neonatal rat cardiomyocytes, N-acetyltetradecapeptide renin substrate, Mn-SOD, inhibit, human carboxylesterase, hypertension, enzyme, Inhibitor, insulin resistance, heart failure, angiotensin-converting, Angiotensin-converting Enzyme (ACE), Angiotensin (I), acute myocardial infarction, Cu/ZnSOD, CES1
Field of Research
Metabolism Research, Protein Biochemistry
Purity
97.08% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (4.2 mM) ; DMSO:11 mg/mL (23.08 mM)
Smiles
C (C (O) =O) N1C[C@H] (SC[C@H] (N[C@@H] (CCC2=CC=CC=C2) C (OCC) =O) C1=O) C3=CC=CS3
Molecular Formula
C23H28N2O5S2
Molecular Weight
476.61
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Temocapril

Temocapril is a dipeptide.

CAS Number111902-57-9
PubChem CID443874
IUPAC Name2-[(2S,6R)-6-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-5-oxo-2-thiophen-2-yl-1,4-thiazepan-4-yl]acetic acid
Molecular FormulaC23H28N2O5S2
Molecular Weight476.6
XLogP1
Topological Polar Surface Area149
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Heavy Atom Count32
Formal Charge0
Complexity644
SMILES
CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]2CS[C@@H](CN(C2=O)CC(=O)O)C3=CC=CS3
InChI
InChI=1S/C23H28N2O5S2/c1-2-30-23(29)17(11-10-16-7-4-3-5-8-16)24-18-15-32-20(19-9-6-12-31-19)13-25(22(18)28)14-21(26)27/h3-9,12,17-18,20,24H,2,10-11,13-15H2,1H3,(H,26,27)/t17-,18-,20-/m0/s1
InChIKey
FIQOFIRCTOWDOW-BJLQDIEVSA-N
Chemical Structure
2D Structure
2D structure of Temocapril
CAS: 111902-57-9
CID: 443874
Formula: C23H28N2O5S2
MW: 476.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight476.6
XLogP31
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Exact Mass476.14396435
Monoisotopic Mass476.14396435
Topological Polar Surface Area149 Ų
Heavy Atom Count32
Formal Charge0
Complexity644
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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