Montelukast 1,2-Diol(Mixture of Diastereomers) , CAS No.186352-97-6

Item Number
M356358
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M356358-1mg
1mg
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$697.90

a Montelukast metabolite

Basic Description

Synonyms186352-97-6 | MONTELUKAST 1,2-DIOL | 1-((((1R)-1-(3-((1E)-2-(7-Chloro-2-quinolinyl)ethenyl)phenyl)-3-(2-(1,2-dihydroxy-1-methylethyl)phenyl)propyl)thio)methyl)cyclopropaneacetic acid | UNII-PV596370Q4 | PV596370Q4 | Cyclopropaneacetic acid, 1-((((1R)-1-(3-((1E)-2-(
Storage TempStore at -20°C
Shipped InIce chest + Ice pads
Product Description

Montelukast 1,2-Diol(Mixture of Diastereomers) is a monohydroxylated analog of the leukotriene LTD4 receptor antagonist Montelukast . The isopropyl group of Montelukast is hydroxylated at a terminal carbon to produce Montelukast 1,2-Diol, and this preparation is a mixture of the possible diastereomers of this compound. Montelukast 1,2-Diol is reported to be an antagonist of the LTD4 receptor similar to the parent compound.

Associated Targets(Human)

CYP2C8 Tchem Cytochrome P450 2C8 (1492 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A5 Tclin Cytochrome P450 3A5 (525 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2E1 Tchem Cytochrome P450 2E1 (2174 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2A6 Tchem Cytochrome P450 2A6 (2861 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2B6 Tchem Cytochrome P450 2B6 (1338 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Associated Targets(non-human)

Liver microsome (341 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Names and Identifiers

IUPAC Name 2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(1,2-dihydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid
INCHI InChI=1S/C35H36ClNO4S/c1-34(41,22-38)30-8-3-2-6-25(30)12-16-32(42-23-35(17-18-35)21-33(39)40)27-7-4-5-24(19-27)9-14-29-15-11-26-10-13-28(36)20-31(26)37-29/h2-11,13-15,19-20,32,38,41H,12,16-18,21-23H2,1H3,(H,39,40)/b14-9+/t32-,34?/m1/s1
InChi Key UFQIEVSCRCMNLW-SHISVWIYSA-N
Canonical SMILES CC(CO)(C1=CC=CC=C1CCC(C2=CC=CC(=C2)C=CC3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)CC(=O)O)O
Isomeric SMILES CC(CO)(C1=CC=CC=C1CC[C@H](C2=CC=CC(=C2)/C=C/C3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)CC(=O)O)O
PubChem CID 9960377
Molecular Weight 602.18

Certificates

Certificate of Analysis(COA)

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Chemical and Physical Properties

SolubilitySoluble in acetone, and methanol.
Melt Point(°C)100-109° C

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Solution Calculators