L-732,138

HCID 132837
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Basic information

CAS
148451-96-1
Standard SMILES
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIKey
BYYQYXVAWXAYQC-IBGZPJMESA-N
Molecular formula
C22H18F6N2O3
Average molar mass
472.4 g/mol
Monoisotopic mass
472.12216176

Names & identifiers

Preferred name
L-732,138
IUPAC
[3,5-bis(trifluoromethyl)phenyl]methyl (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate
English name
AC-TRP-3,5-BIS(TRIFLUOROMETHYL)BENZYL ESTER
Molecular formula
C22H18F6N2O3
Molecular weight
472.38

Names & synonyms

L-732,138L-732138[3,5-bis(trifluoromethyl)phenyl]methyl (2S)-2-acetamido-3-(1H-indol-3-yl)propanoateL 732138(3,5-bis(trifluoromethyl)phenyl)methyl (2S)-2-acetamido-3-(1H-indol-3-yl)propanoateRefChem:924363148451-96-13,5-Bis(tfm)Bz nactrp3,5-Bis(trifluoromethyl)benzyl N-acetyltryptophan3,5-bis(trifluoromethyl)benzyl acetyl-L-tryptophanateN-Acetyltryptophan 3,5-bis(trifluoromethyl)benzyl esterN-Acetyl-L-tryptophan 3,5-bis(trifluoromethyl)benzyl ester
Show more names
L-732138, 10 mM in DMSOAC-TRP-3,5-BIS(TRIFLUOROMETHYL)BENZYL ESTERN-acetyl-L-tryptophan 3,5-bis*(trifluoromethyl)beN-ACETYL-L-TRYPTOPHAN 3,5-BIS(TRIFLUOROM ETHYL)BENZN-ACETYL-L-TRYPTOPHAN 3,5-BIS(TRIFLUOROMETHYL)-BENZYL ESTERN-Acetyl-L-tryptophan 3,5-bis(trifluoromethyl)benzyl ester,L-732,138
L732138CHEMBL22870MFCD00237267L-Tryptophan, N-acetyl-, (3,5-bis(trifluoromethyl)phenyl)methyl esterL-Tryptophan, N-acetyl-, [3,5-bis(trifluoromethyl)phenyl]methyl esterN-Acetyl-L-trp-3,5-bistrifluoromethylbenzyl esterC22H18F6N2O3N-Acetyl-L-tryptophan-3,5-bistrifluoromethylbenzyl ester

Database identifiers

CAS
148451-96-1
PubChem CID
132837
DTXSID
DTXSID20163989
ChEMBL
CHEMBL22870
Nikkaji
J592.100G

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
71.2 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
9
Rotatable bonds
7
Heavy atoms
33

Experimental & physicochemical properties

Solubility3.4 [ug/mL] (The mean of the results at pH 7.4)

Physicochemical properties

Melting point
147 · 147-148 °C(lit.)
Boiling point
554.1 · 554.1±50.0 °C(Predicted)
Density
1.396 · 1.396±0.06 g/cm3(Predicted)
storage temp.
-20 °C · Sealed in dry,Store in freezer, under -20°C
solubility
100 mM · Soluble to 100 mM in ethanol and to 100 mM in DMSO
pka
14.63 · 14.63±0.46(Predicted)

Safety & regulation

Safety data

wgk
3
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P280-P301+P312-P302+P352-P305+P351+P338

Chemistry & industry

Applications

UsesL-732,138 is a Substance P (SP) receptor antagonist.

Suppliers34 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]

Related reactions

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Compound notes

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