I-CBP112 hydrochloride
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MedKoo CAT#: 574743

CAS#: 2147701-33-3

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

Chemical Structure

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I-CBP112 hydrochloride
CAS# 2147701-33-3
Product data Instruction

Theoretical Analysis

MedKoo Cat#: 574743
Name: I-CBP112 hydrochloride
CAS#: 2147701-33-3
Chemical Formula: C27H37ClN2O5
Exact Mass: 0.00
Molecular Weight: 505.052
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 2 Weeks
10mg USD 650 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

Solubility Data

Solvent Max Conc. mg/mL Max Conc. 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

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.

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. 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: 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 vivo protocol: TBD

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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).