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

ID: ALA2251675

Chembl Id: CHEMBL2251675

PubChem CID: 44179618

Max Phase: Preclinical

Molecular Formula: C59H44Cl4F2N6O2S2

Molecular Weight: 1112.98

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  COc1ccc(Cc2ccc(OC)c(C3SC4C(=NN(c5ccc(Cl)cc5)C4c4ccc(F)cc4)N3c3ccc(Cl)cc3)c2)cc1C1SC2C(=NN(c3ccc(Cl)cc3)C2c2ccc(F)cc2)N1c1ccc(Cl)cc1

Standard InChI:  InChI=1S/C59H44Cl4F2N6O2S2/c1-72-50-29-3-34(32-48(50)58-68(44-21-9-38(60)10-22-44)56-54(74-58)52(36-5-17-42(64)18-6-36)70(66-56)46-25-13-40(62)14-26-46)31-35-4-30-51(73-2)49(33-35)59-69(45-23-11-39(61)12-24-45)57-55(75-59)53(37-7-19-43(65)20-8-37)71(67-57)47-27-15-41(63)16-28-47/h3-30,32-33,52-55,58-59H,31H2,1-2H3

Standard InChI Key:  LEVWDHIOWCRUII-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA2251675

   5-[5-[[3-[2,6-bis(4-chlorophenyl)-3-(4-fluorophenyl)-3a,5-dihydro-3H-pyrazolo[3,4-d][1,3]thiazol-5-yl]-4-methoxyphenyl]methyl]-2-methoxyphenyl]-2,6-bis(4-chlorophenyl)-3-(4-fluorophenyl)-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: 1112.98

Molecular Weight (Monoisotopic): 1110.1689

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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