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

ID: ALA2251678

Chembl Id: CHEMBL2251678

PubChem CID: 44179684

Max Phase: Preclinical

Molecular Formula: C59H46F2N8O6S2

Molecular Weight: 1065.20

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  COc1ccc(Cc2ccc(OC)c(C3SC4C(=NN(c5ccccc5)C4c4ccc(F)cc4)N3c3ccc([N+](=O)[O-])cc3)c2)cc1C1SC2C(=NN(c3ccccc3)C2c2ccc(F)cc2)N1c1ccc([N+](=O)[O-])cc1

Standard InChI:  InChI=1S/C59H46F2N8O6S2/c1-74-50-31-13-36(34-48(50)58-64(42-23-27-46(28-24-42)68(70)71)56-54(76-58)52(38-15-19-40(60)20-16-38)66(62-56)44-9-5-3-6-10-44)33-37-14-32-51(75-2)49(35-37)59-65(43-25-29-47(30-26-43)69(72)73)57-55(77-59)53(39-17-21-41(61)22-18-39)67(63-57)45-11-7-4-8-12-45/h3-32,34-35,52-55,58-59H,33H2,1-2H3

Standard InChI Key:  MLLMLZZUDVOHHO-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA2251678

   3-(4-fluorophenyl)-5-[5-[[3-[3-(4-fluorophenyl)-6-(4-nitrophenyl)-2-phenyl-3a,5-dihydro-3H-pyrazolo[3,4-d][1,3]thiazol-5-yl]-4-methoxyphenyl]methyl]-2-methoxyphenyl]-6-(4-nitrophenyl)-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: 1065.20

Molecular Weight (Monoisotopic): 1064.2950

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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