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

Theoretical Analysis

MedKoo Cat#: 574743
Name: I-CBP112 hydrochloride
CAS#: 2147701-33-3
Chemical Formula: C27H37ClN2O5
Exact Mass: 504.2391
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
1.0mg USD 215.0 2 Weeks
5.0mg USD 435.0 2 Weeks
10.0mg USD 665.0 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

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

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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).