MedKoo Cat#: 407276 | Name: NVS-CECR2-1 HCl

Description:

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

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)

Chemical Structure

NVS-CECR2-1 HCl
NVS-CECR2-1 HCl
CAS#NVS-CECR2-1 HCl

Theoretical Analysis

MedKoo Cat#: 407276

Name: NVS-CECR2-1 HCl

CAS#: NVS-CECR2-1 HCl

Chemical Formula: C27H38ClN5O2S

Exact Mass: 495.2668

Molecular Weight: 532.14

Elemental Analysis: C, 60.94; H, 7.20; Cl, 6.66; N, 13.16; O, 6.01; S, 6.02

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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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 hydrochloride
InChi Key
TVCZKOPPOWXEKH-UHFFFAOYSA-N
InChi Code
InChI=1S/C27H37N5O2S.ClH/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);1H
SMILES Code
CC1(C)CC(N2C=CC3=C2C=CC(C4=CC(NC5CC5)=NC(S(=O)(CCC)=O)=N4)=C3)CC(C)(C)N1.[H]Cl
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).
HS Tariff Code
2934.99.9001
More Info
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)

Preparing Stock Solutions

The following data is based on the product molecular weight 532.14 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