NVS-CECR2-1

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

MedKoo CAT#: 407276

CAS#: Unknown

Description: NVS-CECR2-1, also known NVS-1, is a highly potent and selective CECR2 inhibitor that has been developed in collaboration with Novartis. NVS-CECR2-1 binds to CECR2 with high affinity: IC50 = 0.047 µM in Alpha screen, KD = 0.080 µM in ITC, and demonstrates no cross reactivity in a BRD panel (48 targets). In the FRAP assay at 0.1 µM. NVS-CECR2-1 shows robust activity in cells due to its slow off-rate, but no acute toxicity. NVS-CECR2-1 is poorly soluble but due to its high potency it may be safely used at low concentrations in cell biology applications. The structurally related NVS-CECR2-C is a suitable control compound that is inactive against CECR2. (http://www.thesgc.org/chemical-probes/NVS-1)


Price and Availability

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NVS-CECR2-1 is not in stock, but may be available through custom synthesis. For cost-effective reason, minimum 1 gram order is requested. The product will be characterized by NMR, HPLC and MS analysis. Purity (HPLC) is usually >98%. CoA, QC data, MSDS will be provided when product is successfully made. The estimated lead time is 2-3 months. Please send email to sales@medkoo.com to inquire quote.


Chemical Structure

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Theoretical Analysis

MedKoo Cat#: 407276
Name: NVS-CECR2-1
CAS#: Unknown
Chemical Formula: C27H37N5O2S
Exact Mass: 495.2668
Molecular Weight: 495.686
Elemental Analysis: C, 65.42; H, 7.52; N, 14.13; O, 6.46; S, 6.47


Synonym: NVS-CECR2-1; NVS-1; NVS1; NVS-1.

IUPAC/Chemical Name: N-cyclopropyl-2-(propylsulfonyl)-6-(1-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-indol-5-yl)pyrimidin-4-amine

InChi Key: XVECNLUKQDKOST-UHFFFAOYSA-N

InChi Code: InChI=1S/C27H37N5O2S/c1-6-13-35(33,34)25-29-22(15-24(30-25)28-20-8-9-20)18-7-10-23-19(14-18)11-12-32(23)21-16-26(2,3)31-27(4,5)17-21/h7,10-12,14-15,20-21,31H,6,8-9,13,16-17H2,1-5H3,(H,28,29,30)

SMILES Code: CC1(C)CC(N2C=CC3=C2C=CC(C4=CC(NC5CC5)=NC(S(=O)(CCC)=O)=N4)=C3)CC(C)(C)N1


Technical Data

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, not in water

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).

Harmonized System Code:
293490


Additional Information

CECR2 (cat eye syndrome chromosome region, candidate 2) gene previously was identified as being in the chromosome 22q11 region, duplicated in the human disorder cat eye syndrome. This syndrome is characterized by defects of the eye, heart, anus, kidney, skeleton, face and mental development; however the neural tube develops normally. CECR2 deletion in mice causes neural tube defects including severe exencephaly and perinatal death. CECR2 is predominantly expressed in the nervous system and involved in neurulation. Chromatin remodelling complexes play critical roles in development and CECR2 has been shown to be part of the CERF complex with SNF2L forming an ATP-dependent chromatin remodeller. CECR2 shows complex alternative splicing, but all variants contain DDT and bromodomain motifs. CECR2 has also been suggested to play a role in DNA damage response by inhibiting γ-H2AX (source: http://www.thesgc.org/chemical-probes/NVS-1)