NVS-CECR2-1 HCl

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MedKoo CAT#: 407276

CAS#: NVS-CECR2-1 HCl

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)


Chemical Structure

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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: 495.27
Molecular Weight: 532.144
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 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.
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Related CAS #: 1992047-61-6 (free base)   NVS-CECR2-1 HCl,  

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)

Biological target:
In vitro activity:
In vivo activity:

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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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