(2E)-2-[(5E)-5-[(3,5-Dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indole;methanesulfonic acid

Base Information

• Chemical Name: (2E)-2-[(5E)-5-[(3,5-Dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indole;methanesulfonic acid
• CAS No.: 803712-79-0
• Molecular Formula: C20H19N3O^.CH4O3S
• Molecular Weight: 413.49
• Hs Code.: 2933990090
• European Community (EC) Number: 804-325-6
• NCI Thesaurus Code: C62771
• Mol file: 803712-79-0.mol

Synonyms:1H-indole, 2-(2-((3,5-dimethyl-1H-pyrrol-2-yl)methylene)-3-methoxy-2H-pyrrol-5-yl)-;2-((2Z)-2-((3,5-Dimethyl-1H-pyrrol-2-yl)methylene)-3-methoxy-2H-pyrrol-5-yl)-1H-indole methanesulfonate (1:1);2-(2-((3,5-dimethyl-1H-pyrrol-2-yl)methylene)-3-methoxy-2H-pyrrol-5-yl)-1H-indole;2-(2-((3,5-Dimethyl-1H-pyrrol-2-yl)methylene)-3-methoxy-2H-pyrrol-5-yl)-1H-indole methanesulfonate;GX 15-070;GX-15-070;GX015-070;GX15-070;obatoclax;obatoclax mesylate

Chemical Property of (2E)-2-[(5E)-5-[(3,5-Dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indole;methanesulfonic acid

Chemical Property:

• PSA: 115.92000
• LogP: 4.50730
• Storage Temp.: -20°C
• Solubility.: Soluble in DMSO (up to 5 mg/ml).
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 413.14092740
• Heavy Atom Count: 29
• Complexity: 869

Purity/Quality:

99.0% ^*data from raw suppliers

ObatoclaxMesylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(N1)C=C2C(=CC(=C3C=C4C=CC=CC4=N3)N2)OC)C.CS(=O)(=O)O
• Isomeric SMILES: CC1=CC(=C(N1)/C=C/2\C(=C/C(=C\3/C=C4C=CC=CC4=N3)/N2)OC)C.CS(=O)(=O)O
• Recent ClinicalTrials: A Phase I/II Study of GMX1777 in Combination With Temozolomide for the Treatment of Metastatic Melanoma
• Recent EU Clinical Trials: A Phase I Followed by a Randomized, Phase II Study of Carboplatin and Etoposide with or without Obatoclax Administered Every 3 Weeks to Patients with Extensive-Stage Small Cell Lung Cancer (ES-SCLC)
• Description: Obatoclax (803712-79-0) is a novel Bcl-2 homology domain-3 (BH3) mimetic.1?Inhibits primary acute myeloid leukemia (AML) progenitor cell proliferation (IC50=0.18 μM) and induces apoptosis in primary AML cells (IC50= 3.6 μM).2?Obatoclax synergizes with other agents such as chloroquine3?and cytarabine4?in cytotoxicity against a variety of cancer cells.
• Uses: Obatoclax Mesylate is a novel Bcl-2 homology domain-3 (BH3) mimetic. Obatoclax (GX15-070) is an inhibitor of Bcl-2 with Ki of 0.22 μM.