I-CBP112 hydrochloride | CAS# 2147701-33-3 | CBP and EP300 inhibitor

MedKoo Cat#: 574743 | Name: I-CBP112 hydrochloride

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Description:

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

I-CBP112 hydrochlorideis a selective inhibitor of CBP and EP300 that directly binds their bromodomains.

Chemical Structure

I-CBP112 hydrochloride

CAS#2147701-33-3

Theoretical Analysis

MedKoo Cat#: 574743

Name: I-CBP112 hydrochloride

CAS#: 2147701-33-3

Chemical Formula: C27H37ClN2O5

Exact Mass:

Molecular Weight: 505.05

Elemental Analysis: C, 64.21; H, 7.38; Cl, 7.02; N, 5.55; O, 15.84

Price and Availability

Size	Price	Availability	Quantity
5mg	USD 385.00	2 Weeks
10mg	USD 650.00	2 Weeks

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Synonym

I-CBP112 hydrochloride; I-CBP112 HCl

IUPAC/Chemical Name

1-[7-(3,4-dimethoxyphenyl)-2,3-dihydro-9-[[(3S)-1-methyl-3-piperidinyl]methoxy]-1,4-benzoxazepin-4(5H)-yl]-1-propanone, monohydrochloride

InChi Key

NZYYXGVOYOZTHZ-FYZYNONXSA-N

InChi Code

InChI=1S/C27H36N2O5.ClH/c1-5-26(30)29-11-12-33-27-22(17-29)13-21(20-8-9-23(31-3)24(14-20)32-4)15-25(27)34-18-19-7-6-10-28(2)16-19;/h8-9,13-15,19H,5-7,10-12,16-18H2,1-4H3;1H/t19-;/m0./s1

SMILES Code

COC1=C(OC)C=C(C2=CC(OC[C@H]3CCCN(C)C3)=C(OCCN(C(CC)=O)C4)C4=C2)C=C1.Cl

Appearance

Solid powder

Purity

>90% (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:

A p300 and CBP inhibitor.

In vitro activity:

The inhibition of this demethylase in the presence of I-CBP112 prevented the repression of ABCC1 and ABCC10 and, to a considerable extent, cancer cells' sensitization to drugs. In conclusion, the CBP/p300 bromodomain inhibitor I-CBP112 can be considered as a potent anti-multidrug-resistance agent, capable of repressing key ABC transporters responsible for drug efflux in various cancer types. Reference: Cancers (Basel). 2021 Sep 14;13(18):4614. https://pubmed.ncbi.nlm.nih.gov/34572840/

In vivo activity:

TBD

	Solvent	mg/mL	mM
Solubility
	DMF	16.0	31.68
	DMSO	16.0	31.68
	Ethanol	16.0	31.68
	PBS (pH 7.2)	10.0	19.80

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 505.05 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. Strachowska M, Gronkowska K, Michlewska S, Robaszkiewicz A. CBP/p300 Bromodomain Inhibitor-I-CBP112 Declines Transcription of the Key ABC Transporters and Sensitizes Cancer Cells to Chemotherapy Drugs. Cancers (Basel). 2021 Sep 14;13(18):4614. doi: 10.3390/cancers13184614. PMID: 34572840; PMCID: PMC8467251. 2. Zucconi BE, Makofske JL, Meyers DJ, Hwang Y, Wu M, Kuroda MI, Cole PA. Combination Targeting of the Bromodomain and Acetyltransferase Active Site of p300/CBP. Biochemistry. 2019 Apr 23;58(16):2133-2143. doi: 10.1021/acs.biochem.9b00160. Epub 2019 Apr 11. PMID: 30924641; PMCID: PMC6948846.

In vitro protocol:

In vivo protocol:

TBD

1. Iyer, N.G., Özdag, H., and Caldas, C. p300/CBP and cancer. Oncogene 23, 4225-4231 (2004). 2. Kalkhoven, E. CBP and p300: HATs for different occasions. Biochemical Pharmacology 68, 1145-1155 (2004). 3. Zeng, L., Zhang, Q., Gerona-Navarro, G., et al. Structural basis of site-specific histone recognition by the bromodomains of human coactivators PCAF and CBP/p300. Structure 16(4), 643-652 (2008).