BH3I-1
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Hodoodo CAT#: H406839

CAS#: 300817-68-9

Description: BH3I-1 is a Bcl-2 family inhibitor. BH3I-1 appeared to induce a dose- and time-dependent apoptosis in H460 and H1792 cells, regardless of p53 status. After 2 days of BH3I-1 treatment, the cells that remained attached were exposed to ionizing radiation. Followed by clonogenic assay, BH3I-1 treatment enhanced the radiation sensitivity of H1792 surviving cells with mutant p53, but not in H460 cells with wild-type p53. A transient time-dependent cell cycle blockade at G2-M phase was identified for H1792 cells without subsequent modification of cell cycle distribution.


Chemical Structure

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BH3I-1
CAS# 300817-68-9

Theoretical Analysis

Hodoodo Cat#: H406839
Name: BH3I-1
CAS#: 300817-68-9
Chemical Formula: C15H14BrNO3S2
Exact Mass: 398.96
Molecular Weight: 400.305
Elemental Analysis: C, 45.01; H, 3.53; Br, 19.96; N, 3.50; O, 11.99; S, 16.02

Price and Availability

Size Price Availability Quantity
5mg USD 295 2 Weeks
10mg USD 550 2 Weeks
1g USD 3450 2 weeks
2g USD 5650 2 weeks
5g USD 7950 2 weeks
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Synonym: BH3I-1; BH 3I-1; BH-3I-1; BH3I1; BH 3I1; BH-3I1.

IUPAC/Chemical Name: 5-[(4-bromophenyl)methylene]-a-(1-methylethyl)-4-oxo-2-thioxo-3-thiazolidineacetic acid

InChi Key: COHIEJLWRGREHV-YRNVUSSQSA-N

InChi Code: InChI=1S/C15H14BrNO3S2/c1-8(2)12(14(19)20)17-13(18)11(22-15(17)21)7-9-3-5-10(16)6-4-9/h3-8,12H,1-2H3,(H,19,20)/b11-7+

SMILES Code: O=C(O)C(C(C)C)N(C/1=O)C(SC1=C\C2=CC=C(Br)C=C2)=S

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >2 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

More Info:

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 400.31 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol:
In vitro protocol:
In vivo protocol:

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1: Varadarajan S, Vogler M, Butterworth M, Dinsdale D, Walensky LD, Cohen GM. Evaluation and critical assessment of putative MCL-1 inhibitors. Cell Death Differ. 2013 Nov;20(11):1475-84. doi: 10.1038/cdd.2013.79. Epub 2013 Jul 5. PubMed PMID: 23832116; PubMed Central PMCID: PMC3792441.

2: Porter JR, Helmers MR, Wang P, Furman JL, Joy ST, Arora PS, Ghosh I. Profiling small molecule inhibitors against helix-receptor interactions: the Bcl-2 family inhibitor BH3I-1 potently inhibits p53/hDM2. Chem Commun (Camb). 2010 Nov 14;46(42):8020-2. doi: 10.1039/c0cc02969f. Epub 2010 Sep 20. PubMed PMID: 20856941; PubMed Central PMCID: PMC4576826.

3: Krishnamoorthy J, Yu VC, Mok YK. Auto-FACE: an NMR based binding site mapping program for fast chemical exchange protein-ligand systems. PLoS One. 2010 Feb 18;5(2):e8943. doi: 10.1371/journal.pone.0008943. PubMed PMID: 20174626; PubMed Central PMCID: PMC2823773.

4: Füllbeck M, Gebhardt N, Hossbach J, Daniel PT, Preissner R. Computer-assisted identification of small-molecule Bcl-2 modulators. Comput Biol Chem. 2009 Dec;33(6):451-6. doi: 10.1016/j.compbiolchem.2009.10.001. Epub 2009 Oct 12. PubMed PMID: 19889579.

5: Lartigue L, Medina C, Schembri L, Chabert P, Zanese M, Tomasello F, Dalibart R, Thoraval D, Crouzet M, Ichas F, De Giorgi F. An intracellular wave of cytochrome c propagates and precedes Bax redistribution during apoptosis. J Cell Sci. 2008 Nov 1;121(Pt 21):3515-23. doi: 10.1242/jcs.029587. Epub 2008 Oct 7. PubMed PMID: 18840646.

6: Wang L, Kong F, Kokoski CL, Andrews DW, Xing C. Development of dimeric modulators for anti-apoptotic Bcl-2 proteins. Bioorg Med Chem Lett. 2008 Jan 1;18(1):236-40. Epub 2007 Oct 30. PubMed PMID: 18023349; PubMed Central PMCID: PMC2266893.

7: Mitsiades CS, Hayden P, Kotoula V, McMillin DW, McMullan C, Negri J, Delmore JE, Poulaki V, Mitsiades N. Bcl-2 overexpression in thyroid carcinoma cells increases sensitivity to Bcl-2 homology 3 domain inhibition. J Clin Endocrinol Metab. 2007 Dec;92(12):4845-52. Epub 2007 Sep 11. PubMed PMID: 17848408.

8: Zhang YH, Bhunia A, Wan KF, Lee MC, Chan SL, Yu VC, Mok YK. Chelerythrine and sanguinarine dock at distinct sites on BclXL that are not the classic BH3 binding cleft. J Mol Biol. 2006 Dec 1;364(3):536-49. Epub 2006 Sep 14. PubMed PMID: 17011577.

9: Roa W, Chen H, Alexander A, Gulavita S, Thng J, Sun XJ, Petruk K, Moore R. Enhancement of radiation sensitivity with BH3I-1 in non-small cell lung cancer. Clin Invest Med. 2005 Apr;28(2):55-63. PubMed PMID: 15909480.