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

ID: ALA2251685

Chembl Id: CHEMBL2251685

PubChem CID: 44179379

Max Phase: Preclinical

Molecular Formula: C63H56F2N6O4S2

Molecular Weight: 1063.31

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(C)cc6)c5)ccc4OC)N3c3ccc(C)cc3)C2c2ccc(F)cc2)cc1

Standard InChI:  InChI=1S/C63H56F2N6O4S2/c1-38-7-21-46(22-8-38)68-60-58(56(42-13-17-44(64)18-14-42)70(66-60)48-25-29-50(72-3)30-26-48)76-62(68)52-36-40(11-33-54(52)74-5)35-41-12-34-55(75-6)53(37-41)63-69(47-23-9-39(2)10-24-47)61-59(77-63)57(43-15-19-45(65)20-16-43)71(67-61)49-27-31-51(73-4)32-28-49/h7-34,36-37,56-59,62-63H,35H2,1-6H3

Standard InChI Key:  VCXDPZJTIFBVFT-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA2251685

   3-(4-fluorophenyl)-5-[5-[[3-[3-(4-fluorophenyl)-2-(4-methoxyphenyl)-6-(4-methylphenyl)-3a,5-dihydro-3H-pyrazolo[3,4-d][1,3]thiazol-5-yl]-4-methoxyphenyl]methyl]-2-methoxyphenyl]-2-(4-methoxyphenyl)-6-(4-methylphenyl)-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: 1063.31

Molecular Weight (Monoisotopic): 1062.3773

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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