Bis-[4-methoxy-3-[3-(4-fluorophenyl)-6-(4-chlorophenyl)-2-(4-methoxyphenyl)-3,3a,5,6-tetrahydro-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]phenyl]methane

ID: ALA2251674

Chembl Id: CHEMBL2251674

PubChem CID: 44179539

Max Phase: Preclinical

Molecular Formula: C61H50Cl2F2N6O4S2

Molecular Weight: 1104.14

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  COc1ccc(N2N=C3C(SC(c4cc(Cc5ccc(OC)c(C6SC7C(=NN(c8ccc(OC)cc8)C7c7ccc(F)cc7)N6c6ccc(Cl)cc6)c5)ccc4OC)N3c3ccc(Cl)cc3)C2c2ccc(F)cc2)cc1

Standard InChI:  InChI=1S/C61H50Cl2F2N6O4S2/c1-72-48-27-23-46(24-28-48)70-54(38-7-15-42(64)16-8-38)56-58(66-70)68(44-19-11-40(62)12-20-44)60(76-56)50-34-36(5-31-52(50)74-3)33-37-6-32-53(75-4)51(35-37)61-69(45-21-13-41(63)14-22-45)59-57(77-61)55(39-9-17-43(65)18-10-39)71(67-59)47-25-29-49(73-2)30-26-47/h5-32,34-35,54-57,60-61H,33H2,1-4H3

Standard InChI Key:  WLHWFALBLIOTOG-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA2251674

   6-(4-chlorophenyl)-5-[5-[[3-[6-(4-chlorophenyl)-3-(4-fluorophenyl)-2-(4-methoxyphenyl)-3a,5-dihydro-3H-pyrazolo[3,4-d][1,3]thiazol-5-yl]-4-methoxyphenyl]methyl]-2-methoxyphenyl]-3-(4-fluorophenyl)-2-(4-methoxyphenyl)-3a,5-dihydro-3H-pyrazolo[3,4-d][1,3]th

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Unknown

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 1104.14

Molecular Weight (Monoisotopic): 1102.2680

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References

1. Sanjeeva Reddy C, Srinivas A, Nagaraj A..  (2009)  Synthesis, nematicidal and antimicrobial properties of Bis-[4-methoxy-3-[3-(4-fluorophenyl)-6-(4-methylphenyl)-2(aryl)-tetrahydro-2H-pyrazolo[3,4-d]thiazol-5-yl]phenyl]methanes.,  57  (7): [PMID:19571412] [10.1248/cpb.57.685]

Source

Source(1):

• Scientific Literature