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

ID: ALA2251687

Chembl Id: CHEMBL2251687

PubChem CID: 44179457

Max Phase: Preclinical

Molecular Formula: C63H56F2N6O2S2

Molecular Weight: 1031.31

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  COc1ccc(Cc2ccc(OC)c(C3SC4C(=NN(Cc5ccccc5)C4c4ccc(F)cc4)N3c3ccc(C)cc3)c2)cc1C1SC2C(=NN(Cc3ccccc3)C2c2ccc(F)cc2)N1c1ccc(C)cc1

Standard InChI:  InChI=1S/C63H56F2N6O2S2/c1-40-15-29-50(30-16-40)70-60-58(56(46-21-25-48(64)26-22-46)68(66-60)38-42-11-7-5-8-12-42)74-62(70)52-36-44(19-33-54(52)72-3)35-45-20-34-55(73-4)53(37-45)63-71(51-31-17-41(2)18-32-51)61-59(75-63)57(47-23-27-49(65)28-24-47)69(67-61)39-43-13-9-6-10-14-43/h5-34,36-37,56-59,62-63H,35,38-39H2,1-4H3

Standard InChI Key:  UPHJUEFKKZUFIC-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA2251687

   2-benzyl-5-[5-[[3-[2-benzyl-3-(4-fluorophenyl)-6-(4-methylphenyl)-3a,5-dihydro-3H-pyrazolo[3,4-d][1,3]thiazol-5-yl]-4-methoxyphenyl]methyl]-2-methoxyphenyl]-3-(4-fluorophenyl)-6-(4-methylphenyl)-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: 1031.31

Molecular Weight (Monoisotopic): 1030.3874

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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