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

ID: ALA2251684

Chembl Id: CHEMBL2251684

PubChem CID: 44179378

Max Phase: Preclinical

Molecular Formula: C61H52F2N6O2S2

Molecular Weight: 1003.26

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  COc1ccc(Cc2ccc(OC)c(C3SC4C(=NN(c5ccccc5)C4c4ccc(F)cc4)N3c3ccc(C)cc3)c2)cc1C1SC2C(=NN(c3ccccc3)C2c2ccc(F)cc2)N1c1ccc(C)cc1

Standard InChI:  InChI=1S/C61H52F2N6O2S2/c1-38-15-29-46(30-16-38)66-58-56(54(42-21-25-44(62)26-22-42)68(64-58)48-11-7-5-8-12-48)72-60(66)50-36-40(19-33-52(50)70-3)35-41-20-34-53(71-4)51(37-41)61-67(47-31-17-39(2)18-32-47)59-57(73-61)55(43-23-27-45(63)28-24-43)69(65-59)49-13-9-6-10-14-49/h5-34,36-37,54-57,60-61H,35H2,1-4H3

Standard InChI Key:  BTPTYZPUCJSBFZ-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA2251684

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

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: 1003.26

Molecular Weight (Monoisotopic): 1002.3561

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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