CAS 94944-80-6 | 3,3'-[[4-(TERT-BUTYL)PHENYL]METHYLENE]BIS(1H-INDOLE) | CAS Number 94944-80-6

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94944-80-6 | 3,3'-[[4-(TERT-BUTYL)PHENYL]METHYLENE]BIS(1H-INDOLE)

CAS No: 94944-80-6 Catalog No: AG005U22 MDL No:

Product Description

Catalog Number:

AG005U22

Chemical Name:

3,3'-[[4-(TERT-BUTYL)PHENYL]METHYLENE]BIS(1H-INDOLE)

CAS Number:

94944-80-6

Molecular Formula:

C27H26N2

Molecular Weight:

378.5087

IUPAC Name:

3-[(4-tert-butylphenyl)-(1H-indol-3-yl)methyl]-1H-indole

InChI:

InChI=1S/C27H26N2/c1-27(2,3)19-14-12-18(13-15-19)26(22-16-28-24-10-6-4-8-20(22)24)23-17-29-25-11-7-5-9-21(23)25/h4-17,26,28-29H,1-3H3

InChI Key:

NCPVEZRBHNDCIV-UHFFFAOYSA-N

SMILES:

CC(c1ccc(cc1)C(c1c[nH]c2c1cccc2)c1c[nH]c2c1cccc2)(C)C

EC Number:

305-658-5

Properties

Complexity:

511

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

378.21g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

378.519g/mol

Monoisotopic Mass:

378.21g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

31.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

7.2

Literature

Title	Journal
1,1-Bis(3'-indolyl)-1-(p-substituted phenyl)methanes induce autophagic cell death in estrogen receptor negative breast cancer.	BMC cancer 20100101
Suppression of 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine-induced nitric-oxide synthase 2 expression in astrocytes by a novel diindolylmethane analog protects striatal neurons against apoptosis.	Molecular pharmacology 20090101
Cancer chemotherapy with indole-3-carbinol, bis(3'-indolyl)methane and synthetic analogs.	Cancer letters 20081008
1,1-bis(3'-indolyl)-1-(p-substituted phenyl)methanes decrease mitochondrial membrane potential and induce apoptosis in endometrial and other cancer cell lines.	Molecular carcinogenesis 20080701
1,1-Bis(3'-indolyl)-1-(p-substituted phenyl)methanes inhibit proliferation of estrogen receptor-negative breast cancer cells by activation of multiple pathways.	Breast cancer research and treatment 20080501
1,1-bis(3'-indolyl)-1-(p-substitutedphenyl)methanes induce apoptosis and inhibit renal cell carcinoma growth.	Clinical cancer research : an official journal of the American Association for Cancer Research 20071115
1,1-Bis(3'-indolyl)-1-(p-substituted phenyl)methanes inhibit ovarian cancer cell growth through peroxisome proliferator-activated receptor-dependent and independent pathways.	Molecular cancer therapeutics 20060901
1,1-Bis(3'-indolyl)-1-(p-substituted phenyl)methanes inhibit colon cancer cell and tumor growth through PPARgamma-dependent and PPARgamma-independent pathways.	Molecular cancer therapeutics 20060501
Inhibition of bladder tumor growth by 1,1-bis(3'-indolyl)-1-(p-substitutedphenyl)methanes: a new class of peroxisome proliferator-activated receptor gamma agonists.	Cancer research 20060101
1,1-Bis(3'-indolyl)-1-(p-substitutedphenyl)methanes are peroxisome proliferator-activated receptor gamma agonists but decrease HCT-116 colon cancer cell survival through receptor-independent activation of early growth response-1 and nonsteroidal anti-inflammatory drug-activated gene-1.	Molecular pharmacology 20051201
Inhibition of tumor-necrosis-factor-alpha induced endothelial cell activation by a new class of PPAR-gamma agonists. An in vitro study showing receptor-independent effects.	Journal of vascular research 20050101