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

ID: ALA2251681

Chembl Id: CHEMBL2251681

PubChem CID: 44179832

Max Phase: Preclinical

Molecular Formula: C61H50F2N8O6S2

Molecular Weight: 1093.25

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  COc1ccc(Cc2ccc(OC)c(C3SC4C(=NN(Cc5ccccc5)C4c4ccc(F)cc4)N3c3ccc([N+](=O)[O-])cc3)c2)cc1C1SC2C(=NN(Cc3ccccc3)C2c2ccc(F)cc2)N1c1ccc([N+](=O)[O-])cc1

Standard InChI:  InChI=1S/C61H50F2N8O6S2/c1-76-52-31-13-40(34-50(52)60-68(46-23-27-48(28-24-46)70(72)73)58-56(78-60)54(42-15-19-44(62)20-16-42)66(64-58)36-38-9-5-3-6-10-38)33-41-14-32-53(77-2)51(35-41)61-69(47-25-29-49(30-26-47)71(74)75)59-57(79-61)55(43-17-21-45(63)22-18-43)67(65-59)37-39-11-7-4-8-12-39/h3-32,34-35,54-57,60-61H,33,36-37H2,1-2H3

Standard InChI Key:  XQUCUNSYPHOPCK-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA2251681

   2-benzyl-5-[5-[[3-[2-benzyl-3-(4-fluorophenyl)-6-(4-nitrophenyl)-3a,5-dihydro-3H-pyrazolo[3,4-d][1,3]thiazol-5-yl]-4-methoxyphenyl]methyl]-2-methoxyphenyl]-3-(4-fluorophenyl)-6-(4-nitrophenyl)-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: 1093.25

Molecular Weight (Monoisotopic): 1092.3263

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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