MedKoo Cat#: 555675 | Name: NS1 NNMT inhibutor

Description:

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

NS1 is a high-affinity, subnanomolar NNMT inhibitor. with Ki = 500 pM. NS1 is a nicotinamide−SAM conjugate (named NS1) features an alkyne as a key design element that closely mimics the linear, 180° transition state geometry found in the NNMT-catalyzed SAM → NAM methyl transfer reaction. NS1 is the most potent and selective NNMT inhibitors reported to date.

Chemical Structure

NS1  NNMT inhibutor
NS1 NNMT inhibutor
CAS#Unknown

Theoretical Analysis

MedKoo Cat#: 555675

Name: NS1 NNMT inhibutor

CAS#: Unknown

Chemical Formula: C24H27N7O6

Exact Mass: 509.2023

Molecular Weight: 509.52

Elemental Analysis: C, 56.58; H, 5.34; N, 19.24; O, 18.84

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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Related CAS #
No Data
Synonym
NS1 NNMT inhibutor; NS1; NS-1; NS1;
IUPAC/Chemical Name
(2S,5S)-2-Amino-5-(((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)-7-(3-carbamoylphenyl)hept-6-ynoicAcid
InChi Key
QRKSTGPKAQGBDD-GGPTZFPQSA-N
InChi Code
InChI=1S/C24H27N7O6/c25-15(24(35)36)7-6-13(5-4-12-2-1-3-14(8-12)21(27)34)9-16-18(32)19(33)23(37-16)31-11-30-17-20(26)28-10-29-22(17)31/h1-3,8,10-11,13,15-16,18-19,23,32-33H,6-7,9,25H2,(H2,27,34)(H,35,36)(H2,26,28,29)/t13-,15-,16+,18+,19+,23+/m0/s1
SMILES Code
O=C(O)[C@@H](N)CC[C@@H](C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C23)[C@H](O)[C@@H]1O)C#CC4=CC=CC(C(N)=O)=C4
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
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
More Info
Nicotinamide N-methyltransferase (NNMT) is a metabolic enzyme that methylates nicotinamide (NAM) using cofactor S-adenosylmethionine (SAM). NNMT overexpression has been linked to diabetes, obesity, and various cancers.

Preparing Stock Solutions

The following data is based on the product molecular weight 509.52 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
High-Affinity Alkynyl Bisubstrate Inhibitors of Nicotinamide N-Methyltransferase (NNMT) Rocco L. PolicarpoLudovic DecultotElizabeth MayPetr KuzmičSamuel CarlsonDanny HuangVincent ChuBrandon A. WrightSaravanakumar DhakshinamoorthyAimo KanntShilpa RaniSreekanth DittakaviJoseph D. PanareseRachelle GaudetMatthew D. Shair* Journal of Medicinal Chemistry, Articles ASAP (As Soon As Publishable)Subscribed Access Publication Date (Web):October 7, 2019