MedKoo Cat#: 561255 | Name: CN-SAH

Description:

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

CN-SAH is a potent and selective inhibitor of DOT1L activity. The polar 5-nitrile group of CN-SAH was shown by crystallography to bind in the hydrophobic pocket of DOT1L. In addition, that polar nitrile group can be used as a non-traditional replacement for heavy halogen atoms.

Chemical Structure

CN-SAH
CN-SAH
CAS#1985669-27-9

Theoretical Analysis

MedKoo Cat#: 561255

Name: CN-SAH

CAS#: 1985669-27-9

Chemical Formula: C16H20N6O5S

Exact Mass: 408.1216

Molecular Weight: 408.43

Elemental Analysis: C, 47.05; H, 4.94; N, 20.58; O, 19.59; S, 7.85

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 #
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Synonym
CN-SAH; CNSAH; CN SAH
IUPAC/Chemical Name
S-(((2S,3S,4R)-5-(4-amino-5-cyano-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)-D-homocysteine
InChi Key
XLTWYAYAFLGUEQ-RSMQBPDHSA-N
InChi Code
InChI=1S/C16H20N6O5S/c17-3-7-4-22(14-10(7)13(19)20-6-21-14)15-12(24)11(23)9(27-15)5-28-2-1-8(18)16(25)26/h4,6,8-9,11-12,15,23-24H,1-2,5,18H2,(H,25,26)(H2,19,20,21)/t8-,9-,11-,12-,15?/m1/s1
SMILES Code
N[C@@H](C(O)=O)CCSC[C@@H]1[C@H]([C@H](C(O1)N2C3=NC=NC(N)=C3C(C#N)=C2)O)O
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
>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

Preparing Stock Solutions

The following data is based on the product molecular weight 408.43 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
1: Spurr SS, Bayle ED, Yu W, Li F, Tempel W, Vedadi M, Schapira M, Fish PV. New small molecule inhibitors of histone methyl transferase DOT1L with a nitrile as a non-traditional replacement for heavy halogen atoms. Bioorg Med Chem Lett. 2016 Sep 15;26(18):4518-22. doi: 10.1016/j.bmcl.2016.07.041. Epub 2016 Jul 21. PubMed PMID: 27485386.