BAI1 | CAS#335165-68-9 | allosteric inhibitor

MedKoo Cat#: 565686 | Name: BAI1 inhibitor

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Brain-specific angiogenesis inhibitor 1 is a protein that in humans is encoded by the BAI1 gene. It is a member of the adhesion-GPCR family of receptors.

Chemical Structure

BAI1 inhibitor

CAS#335165-68-9 (free base)

Theoretical Analysis

MedKoo Cat#: 565686

Name: BAI1 inhibitor

CAS#: 335165-68-9 (free base)

Chemical Formula: C19H21Br2N3O

Exact Mass: 465.0051

Molecular Weight: 467.21

Elemental Analysis: C, 48.85; H, 4.53; Br, 34.21; N, 8.99; O, 3.42

Price and Availability

Size	Price	Availability
50mg	USD 385.00	2 Weeks
100mg	USD 650.00	2 Weeks
250mg	USD 1,250.00	2 Weeks
1g	USD 3,450.00	2 Weeks
2g	USD 5,750.00	2 Weeks
5g	USD 12,950.00	2 Weeks

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Related CAS #

329349-20-4 (HCl) 335165-68-9 (free base)

Synonym

BAI1; BAI 1; BAI-1; Brain-specific angiogenesis inhibitor 1

IUPAC/Chemical Name

1-(3,6-Dibromo-9H-carbazol-9-yl)-3-(piperazin-1-yl)propan-2-ol

InChi Key

KUUJEXLRLIPQQJ-UHFFFAOYSA-N

InChi Code

InChI=1S/C19H21Br2N3O/c20-13-1-3-18-16(9-13)17-10-14(21)2-4-19(17)24(18)12-15(25)11-23-7-5-22-6-8-23/h1-4,9-10,15,22,25H,5-8,11-12H2

SMILES Code

OC(CN1CCNCC1)CN2C3=C(C4=C2C=CC(Br)=C4)C=C(Br)C=C3

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

>3 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

Product Data

Product Data

Instruction

View handling instruction

Biological target:

BAI1 is a selective and allosteric inhibitor of BAX, an apoptosis regulator.

In vitro activity:

The ADGRB1 gene, which encodes Brain-specific angiogenesis inhibitor 1 (BAI1), is epigenetically silenced in medulloblastomas (MBs) through a methyl-CpG binding protein MBD2-dependent mechanism. BAI1 prevents Mdm2-mediated p53 polyubiquitination, and its loss substantially reduces p53 levels. Reference: Cancer Cell. 2018 Jun 11;33(6):1004-1016.e5. https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6002773/

In vivo activity:

Knockout of Adgrb1 in mice augments proliferation of cerebellar granule neuron precursors, and leads to accelerated tumor growth in the Ptch1+/- transgenic MB mouse model. Reactivation of BAI1/p53 signaling axis by a brain-permeable MBD2 pathway inhibitor suppresses MB growth in vivo. Reference: Cancer Cell. 2018 Jun 11;33(6):1004-1016.e5. https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6002773/

	Solvent	mg/mL	mM
Solubility
	DMSO	18.3	39.23
	Ethanol	3.0	6.42

Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 467.21 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.

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:

1. Zhu D, Osuka S, Zhang Z, Reichert ZR, Yang L, Kanemura Y, Jiang Y, You S, Zhang H, Devi NS, Bhattacharya D, Takano S, Gillespie GY, Macdonald T, Tan C, Nishikawa R, Nelson WG, Olson JJ, Van Meir EG. BAI1 Suppresses Medulloblastoma Formation by Protecting p53 from Mdm2-Mediated Degradation. Cancer Cell. 2018 Jun 11;33(6):1004-1016.e5. doi: 10.1016/j.ccell.2018.05.006. PMID: 29894688; PMCID: PMC6002773. 2. Liu L, Chai L, Ran J, Yang Y, Zhang L. BAI1 acts as a tumor suppressor in lung cancer A549 cells by inducing metabolic reprogramming via the SCD1/HMGCR module. Carcinogenesis. 2020 Dec 31;41(12):1724-1734. doi: 10.1093/carcin/bgaa036. PMID: 32255478.

In vitro protocol:

In vivo protocol:

1: Wu C, Cui X, Huang L, Shang X, Wu B, Wang N, He K, Han Z. IRTKS Promotes Insulin Signaling Transduction through Inhibiting SHIP2 Phosphatase Activity. Int J Mol Sci. 2019 Jun 11;20(11). pii: E2834. doi: 10.3390/ijms20112834. PubMed PMID: 31212584; PubMed Central PMCID: PMC6600216. 2: Hsiao CC, van der Poel M, van Ham TJ, Hamann J. Macrophages Do Not Express the Phagocytic Receptor BAI1/ADGRB1. Front Immunol. 2019 May 3;10:962. doi: 10.3389/fimmu.2019.00962. eCollection 2019. PubMed PMID: 31130954; PubMed Central PMCID: PMC6509540. 3: Chen J, Huang Y, Hui Q, Mathur R, Gwinn M, So-Armah K, Freiberg MS, Justice AC, Xu K, Marconi VC, Sun YV. Epigenetic Associations with Estimated Glomerular Filtration Rate (eGFR) among Men with HIV Infection. Clin Infect Dis. 2019 Mar 20. pii: ciz240. doi: 10.1093/cid/ciz240. [Epub ahead of print] PubMed PMID: 30893429. 4: Wang Z, Zhu B, Niu H, Zhang W, Xu L, Xu L, Chen Y, Zhang L, Gao X, Gao H, Zhang S, Xu L, Li J. Genome wide association study identifies SNPs associated with fatty acid composition in Chinese Wagyu cattle. J Anim Sci Biotechnol. 2019 Mar 4;10:27. doi: 10.1186/s40104-019-0322-0. eCollection 2019. PubMed PMID: 30867906; PubMed Central PMCID: PMC6399853. 5: Zeng Z, Huo X, Zhang Y, Hylkema MN, Wu Y, Xu X. Differential DNA methylation in newborns with maternal exposure to heavy metals from an e-waste recycling area. Environ Res. 2019 Apr;171:536-545. doi: 10.1016/j.envres.2019.01.007. Epub 2019 Jan 6. PubMed PMID: 30763874. 6: Weng Z, Situ C, Lin L, Wu Z, Zhu J, Zhang R. Structure of BAI1/ELMO2 complex reveals an action mechanism of adhesion GPCRs via ELMO family scaffolds. Nat Commun. 2019 Jan 3;10(1):51. doi: 10.1038/s41467-018-07938-9. PubMed PMID: 30604775; PubMed Central PMCID: PMC6318265. 7: Moon SY, Shin SA, Oh YS, Park HH, Lee CS. Understanding the Role of the BAI Subfamily of Adhesion G Protein-Coupled Receptors (GPCRs) in Pathological and Physiological Conditions. Genes (Basel). 2018 Nov 30;9(12). pii: E597. doi: 10.3390/genes9120597. Review. PubMed PMID: 30513696; PubMed Central PMCID: PMC6316137. 8: Tu YK, Duman JG, Tolias KF. The Adhesion-GPCR BAI1 Promotes Excitatory Synaptogenesis by Coordinating Bidirectional Trans-synaptic Signaling. J Neurosci. 2018 Sep 26;38(39):8388-8406. doi: 10.1523/JNEUROSCI.3461-17.2018. Epub 2018 Aug 17. PubMed PMID: 30120207; PubMed Central PMCID: PMC6158688. 9: Choi JS, Bae WY, Nam S, Jeong JW. New Targets for Parkinson's Disease: Adhesion G Protein-Coupled Receptor B1 is Downregulated by AMP-Activated Protein Kinase Activation. OMICS. 2018 Jul;22(7):493-501. doi: 10.1089/omi.2018.0047. PubMed PMID: 30004846. 10: Zhu D, Osuka S, Zhang Z, Reichert ZR, Yang L, Kanemura Y, Jiang Y, You S, Zhang H, Devi NS, Bhattacharya D, Takano S, Gillespie GY, Macdonald T, Tan C, Nishikawa R, Nelson WG, Olson JJ, Van Meir EG. BAI1 Suppresses Medulloblastoma Formation by Protecting p53 from Mdm2-Mediated Degradation. Cancer Cell. 2018 Jun 11;33(6):1004-1016.e5. doi: 10.1016/j.ccell.2018.05.006. PubMed PMID: 29894688; PubMed Central PMCID: PMC6002773. 11: Gęgotek A, Domingues P, Wroński A, Wójcik P, Skrzydlewska E. Proteomic plasma profile of psoriatic patients. J Pharm Biomed Anal. 2018 Jun 5;155:185-193. doi: 10.1016/j.jpba.2018.03.068. Epub 2018 Apr 4. PubMed PMID: 29635173. 12: Bai WJ, Wang X. Appreciation of symmetry in natural product synthesis. Nat Prod Rep. 2017 Dec 13;34(12):1345-1358. doi: 10.1039/c7np00045f. Review. PubMed PMID: 29168875. 13: Penberthy KK, Rival C, Shankman LS, Raymond MH, Zhang J, Perry JSA, Lee CS, Han CZ, Onengut-Gumuscu S, Palczewski K, Lysiak JJ, Ravichandran KS. Context-dependent compensation among phosphatidylserine-recognition receptors. Sci Rep. 2017 Nov 7;7(1):14623. doi: 10.1038/s41598-017-15191-1. PubMed PMID: 29116131; PubMed Central PMCID: PMC5676788. 14: Zhang W, He H, Zang M, Wu Q, Zhao H, Lu LL, Ma P, Zheng H, Wang N, Zhang Y, He S, Chen X, Wu Z, Wang X, Cai J, Liu Z, Sun Z, Zeng YX, Qu C, Jiao Y. Genetic Features of Aflatoxin-Associated Hepatocellular Carcinoma. Gastroenterology. 2017 Jul;153(1):249-262.e2. doi: 10.1053/j.gastro.2017.03.024. Epub 2017 Mar 29. PubMed PMID: 28363643. 15: Mathema VB, Na-Bangchang K. Regulatory roles of brain-specific angiogenesis inhibitor 1(BAI1) protein in inflammation, tumorigenesis and phagocytosis: A brief review. Crit Rev Oncol Hematol. 2017 Mar;111:81-86. doi: 10.1016/j.critrevonc.2017.01.006. Epub 2017 Jan 16. Review. PubMed PMID: 28259299. 16: Bolyard C, Meisen WH, Banasavadi-Siddegowda Y, Hardcastle J, Yoo JY, Wohleb ES, Wojton J, Yu JG, Dubin S, Khosla M, Xu B, Smith J, Alvarez-Breckenridge C, Pow-Anpongkul P, Pichiorri F, Zhang J, Old M, Zhu D, Van Meir EG, Godbout JP, Caligiuri MA, Yu J, Kaur B. BAI1 Orchestrates Macrophage Inflammatory Response to HSV Infection-Implications for Oncolytic Viral Therapy. Clin Cancer Res. 2017 Apr 1;23(7):1809-1819. doi: 10.1158/1078-0432.CCR-16-1818. Epub 2016 Nov 9. PubMed PMID: 27852701; PubMed Central PMCID: PMC5380537. 17: Hamann J, Hsiao CC, Lee CS, Ravichandran KS, Lin HH. Adhesion GPCRs as Modulators of Immune Cell Function. Handb Exp Pharmacol. 2016;234:329-350. Review. PubMed PMID: 27832495. 18: Fan W, Chang S, Shan X, Gao D, Zhang SQ, Zhang J, Jiang N, Ma D, Mao Z. Transcriptional profile of SH-SY5Y human neuroblastoma cells transfected by Toxoplasma rhoptry protein 16. Mol Med Rep. 2016 Nov;14(5):4099-4108. doi: 10.3892/mmr.2016.5758. Epub 2016 Sep 21. PubMed PMID: 27666388; PubMed Central PMCID: PMC5101894. 19: Tian DW, Hu HL, Sun Y, Tang Y, Lei MD, Liu LW, Han RF, Wu CL. Biological effects of eukaryotic recombinant plasmid pReceiver-M61-BAI-1 transfection on T24 cells and HUVECs. Mol Med Rep. 2016 Aug;14(2):1553-9. doi: 10.3892/mmr.2016.5422. Epub 2016 Jun 23. PubMed PMID: 27356780; PubMed Central PMCID: PMC4940095. 20: Liu H, Li F, Zhu Y, Li T, Huang H, Lin T, Hu Y, Qi X, Yu J, Li G. Whole-exome sequencing to identify somatic mutations in peritoneal metastatic gastric adenocarcinoma: A preliminary study. Oncotarget. 2016 Jul 12;7(28):43894-43906. doi: 10.18632/oncotarget.9707. PubMed PMID: 27270314; PubMed Central PMCID: PMC5190066.