ICBP112

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

MedKoo CAT#: 464588

CAS#: unknown

Description: ICBP112 is a CBP inhibitor.


Chemical Structure

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ICBP112
CAS# unknown

Theoretical Analysis

MedKoo Cat#: 464588
Name: ICBP112
CAS#: unknown
Chemical Formula: C27H36N2O5
Exact Mass: 468.2624
Molecular Weight: 468.594
Elemental Analysis: C, 69.21; H, 7.74; N, 5.98; O, 17.07

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

Request quote for custom synthesis

Synonym: ICBP112; ICBP 112; ICBP-112;

IUPAC/Chemical Name: (S)-1-(7-(3,4-dimethoxyphenyl)-9-((1-methylpiperidin-3-yl)methoxy)-2,3-dihydrobenzo[f][1,4]oxazepin-4(5H)-yl)propan-1-one

InChi Key: YKNAKDFZAWQEEO-IBGZPJMESA-N

InChi Code: InChI=1S/C27H36N2O5/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/t19-/m0/s1

SMILES Code: O=C(CC)N1CC2=CC(C3=CC(OC)=C(OC)C=C3)=CC(OC[C@@H]4CN(C)CCC4)=C2OCC1

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: To be determined

Shelf Life: >2 years if stored properly

Drug Formulation: To be determined

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 468.594 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: Yuan YG, Wang JL, Mesalam A, Li L, Choi YJ, Talimur Reza AMM, Zhou D, Chen L, Qian C. Nicotinamide-induced mouse embryo developmental defect rescued by resveratrol and I-CBP112. Mol Reprod Dev. 2020 Sep;87(9):1009-1017. doi: 10.1002/mrd.23405. Epub 2020 Aug 20. PMID: 32818292.

2: Yuan YG, Xu L, Zhang S, Mesalam A, Lee KL, Liu H, Joo MD, Idrees M, Kong IK. Polydatin and I-CBP112 protects early bovine embryo against nicotinamide-induced mitochondrial dysfunction. Theriogenology. 2019 Aug;134:1-10. doi: 10.1016/j.theriogenology.2019.05.007. Epub 2019 May 9. PMID: 31108431.

3: 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.

4: Dhaliwal A, Pelka S, Gray DS, Moghe PV. Engineering Lineage Potency and Plasticity of Stem Cells using Epigenetic Molecules. Sci Rep. 2018 Nov 2;8(1):16289. doi: 10.1038/s41598-018-34511-7. PMID: 30389989; PMCID: PMC6215020.

5: Popp TA, Tallant C, Rogers C, Fedorov O, Brennan PE, Müller S, Knapp S, Bracher F. Development of Selective CBP/P300 Benzoxazepine Bromodomain Inhibitors. J Med Chem. 2016 Oct 13;59(19):8889-8912. doi: 10.1021/acs.jmedchem.6b00774. Epub 2016 Sep 27. PMID: 27673482.

6: Zucconi BE, Luef B, Xu W, Henry RA, Nodelman IM, Bowman GD, Andrews AJ, Cole PA. Modulation of p300/CBP Acetylation of Nucleosomes by Bromodomain Ligand I-CBP112. Biochemistry. 2016 Jul 12;55(27):3727-34. doi: 10.1021/acs.biochem.6b00480. Epub 2016 Jul 1. PMID: 27332697; PMCID: PMC5007619.

7: Picaud S, Fedorov O, Thanasopoulou A, Leonards K, Jones K, Meier J, Olzscha H, Monteiro O, Martin S, Philpott M, Tumber A, Filippakopoulos P, Yapp C, Wells C, Che KH, Bannister A, Robson S, Kumar U, Parr N, Lee K, Lugo D, Jeffrey P, Taylor S, Vecellio ML, Bountra C, Brennan PE, O'Mahony A, Velichko S, Müller S, Hay D, Daniels DL, Urh M, La Thangue NB, Kouzarides T, Prinjha R, Schwaller J, Knapp S. Generation of a Selective Small Molecule Inhibitor of the CBP/p300 Bromodomain for Leukemia Therapy. Cancer Res. 2015 Dec 1;75(23):5106-5119. doi: 10.1158/0008-5472.CAN-15-0236. Epub 2015 Nov 9. PMID: 26552700; PMCID: PMC4948672.