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MedKoo Cat#: 206773 | Name: BAY-1436032
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Description:

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

BAY-1436032 is a potent, selective and orally available inhibitor of mutant Isocitrate Dehydrogenase 1 (mIDH1). BAY 1436032 is a double-digit nanomolar and selective pan-inhibitor of the enzymatic activity of various IDH1-R132X mutants in vitro and displayed potent inhibition of 2-HG release (nanomolar range) in patient derived and engineered cell lines expressing different IDH1 mutants. In line with the proposed mode of action, a concentration-dependent lowering of 2-HG was observed in vitro accompanied by differentiation and maturation of mIDH1 tumor cells. Furthermore, BAY 1436032 showed a favourable selectivity profile against wtIDH1/2 and a large panel of off-targets in vitro.

Chemical Structure

BAY-1436032
BAY-1436032
CAS#1803274-65-8

Theoretical Analysis

MedKoo Cat#: 206773

Name: BAY-1436032

CAS#: 1803274-65-8

Chemical Formula: C26H30F3N3O3

Exact Mass: 489.2239

Molecular Weight: 489.54

Elemental Analysis: C, 63.79; H, 6.18; F, 11.64; N, 8.58; O, 9.80

Price and Availability

Size Price Availability Quantity
10mg USD 350.00 2 Weeks
50mg USD 1,250.00 2 Weeks
100mg USD 2,150.00 2 Weeks
200mg USD 3,650.00 2 Weeks
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Related CAS #
No Data
Synonym
BAY-1436032; BAY 1436032; BAY1436032.
IUPAC/Chemical Name
3-(2-((4-(trifluoromethoxy)phenyl)amino)-1-((1R,5R)-3,3,5-trimethylcyclohexyl)-1H-benzo[d]imidazol-5-yl)propanoic acid
InChi Key
RNMAUIMMNAHKQR-QFBILLFUSA-N
InChi Code
InChI=1S/C26H30F3N3O3/c1-16-12-19(15-25(2,3)14-16)32-22-10-4-17(5-11-23(33)34)13-21(22)31-24(32)30-18-6-8-20(9-7-18)35-26(27,28)29/h4,6-10,13,16,19H,5,11-12,14-15H2,1-3H3,(H,30,31)(H,33,34)/t16-,19+/m0/s1
SMILES Code
O=C(O)CCC1=CC=C2N([C@H]3CC(C)(C)C[C@@H](C)C3)C(NC4=CC=C(OC(F)(F)F)C=C4)=NC2=C1
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
Product Data
Product Data
Instruction
View handling instruction
Biological target:
BAY-1436032 is an isocitrate dehydrogenase 1 (IDH1) inhibitor.
In vitro activity:
In vitro, BAY1436032 specifically inhibited R-2HG production and colony growth, and induced myeloid differentiation of AML (acute myeloid leukemia) cells carrying IDH1R132H, IDH1R132C, IDH1R132G, IDH1R132L and IDH1R132S mutations. In addition, the compound affected DNA methylation and attenuated histone hypermethylation. Reference: Leukemia. 2017 Oct;31(10):2020-2028. https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5629366/
In vivo activity:
In vivo, oral administration of BAY1436032 led to leukemic blast clearance, myeloid differentiation, depletion of leukemic stem cells and prolonged survival in two independent patient-derived xenograft IDH1 mutant AML mouse models. Reference: Leukemia. 2017 Oct;31(10):2020-2028. https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5629366/
Solvent mg/mL mM
Solubility
DMSO 111.5 227.76
Ethanol 98.0 200.19
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 489.54 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:
1. Chaturvedi A, Herbst L, Pusch S, Klett L, Goparaju R, Stichel D, Kaulfuss S, Panknin O, Zimmermann K, Toschi L, Neuhaus R, Haegebarth A, Rehwinkel H, Hess-Stumpp H, Bauser M, Bochtler T, Struys EA, Sharma A, Bakkali A, Geffers R, Araujo-Cruz MM, Thol F, Gabdoulline R, Ganser A, Ho AD, von Deimling A, Rippe K, Heuser M, Krämer A. Pan-mutant-IDH1 inhibitor BAY1436032 is highly effective against human IDH1 mutant acute myeloid leukemia in vivo. Leukemia. 2017 Oct;31(10):2020-2028. doi: 10.1038/leu.2017.46. Epub 2017 Jan 31. PMID: 28232670; PMCID: PMC5629366.
In vitro protocol:
1. Chaturvedi A, Herbst L, Pusch S, Klett L, Goparaju R, Stichel D, Kaulfuss S, Panknin O, Zimmermann K, Toschi L, Neuhaus R, Haegebarth A, Rehwinkel H, Hess-Stumpp H, Bauser M, Bochtler T, Struys EA, Sharma A, Bakkali A, Geffers R, Araujo-Cruz MM, Thol F, Gabdoulline R, Ganser A, Ho AD, von Deimling A, Rippe K, Heuser M, Krämer A. Pan-mutant-IDH1 inhibitor BAY1436032 is highly effective against human IDH1 mutant acute myeloid leukemia in vivo. Leukemia. 2017 Oct;31(10):2020-2028. doi: 10.1038/leu.2017.46. Epub 2017 Jan 31. PMID: 28232670; PMCID: PMC5629366.
In vivo protocol:
1. Chaturvedi A, Herbst L, Pusch S, Klett L, Goparaju R, Stichel D, Kaulfuss S, Panknin O, Zimmermann K, Toschi L, Neuhaus R, Haegebarth A, Rehwinkel H, Hess-Stumpp H, Bauser M, Bochtler T, Struys EA, Sharma A, Bakkali A, Geffers R, Araujo-Cruz MM, Thol F, Gabdoulline R, Ganser A, Ho AD, von Deimling A, Rippe K, Heuser M, Krämer A. Pan-mutant-IDH1 inhibitor BAY1436032 is highly effective against human IDH1 mutant acute myeloid leukemia in vivo. Leukemia. 2017 Oct;31(10):2020-2028. doi: 10.1038/leu.2017.46. Epub 2017 Jan 31. PMID: 28232670; PMCID: PMC5629366.
1: Pusch S, Krausert S, Fischer V, Balss J, Ott M, Schrimpf D, Capper D, Sahm F, Eisel J, Beck AC, Jugold M, Eichwald V, Kaulfuss S, Panknin O, Rehwinkel H, Zimmermann K, Hillig RC, Guenther J, Toschi L, Neuhaus R, Haegebart A, Hess- Stumpp H, Bauser M, Wick W, Unterberg A, Herold-Mende C, Platten M, von Deimling A. Pan-mutant IDH1 inhibitor BAY 1436032 for effective treatment of IDH1 mutant astrocytoma in vivo. Acta Neuropathol. 2017 Apr;133(4):629-644. doi: 10.1007/s00401-017-1677-y. Epub 2017 Jan 25. PMID: 28124097. 2: Gokul S, Rajanikant GK. Research Highlights BAY 1436032: A Novel Pan-mutant IDH1 Inhibitor Extends Survival of Mice with Experimental Brain Tumors. CNS Neurol Disord Drug Targets. 2017;16(6):636-637. doi: 10.2174/1871527316999170505104203. PMID: 28901861. 3: Hong D, Kim Y, Mushti C, Minami N, Wu J, Cherukuri MK, Swenson RE, Vigneron DB, Ronen SM. Monitoring response to a clinically relevant IDH inhibitor in glioma-Hyperpolarized 13C magnetic resonance spectroscopy approaches. Neurooncol Adv. 2023 Nov 2;5(1):vdad143. doi: 10.1093/noajnl/vdad143. PMID: 38024238; PMCID: PMC10681661. 4: Radoul M, Hong D, Gillespie AM, Najac C, Viswanath P, Pieper RO, Costello JF, Luchman HA, Ronen SM. Early Noninvasive Metabolic Biomarkers of Mutant IDH Inhibition in Glioma. Metabolites. 2021 Feb 13;11(2):109. doi: 10.3390/metabo11020109. PMID: 33668509; PMCID: PMC7917625.

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