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MedKoo Cat#: 15002 | Name: SAMHD1 dNTPase inhibitor 5a

Description:

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

SAMHD1 is a sterile alpha motif histidine-aspartate domain protein 1. SAMHD1 is a deoxynucleotide triphosphohydrolase. It is activated by GTP binding to an A1 allosteric site on each monomer subunit. SAMHD1 is a validated drug target stemming from its inactivation of many anticancer nucleoside drugs.

Chemical Structure

SAMHD1 dNTPase inhibitor 5a
SAMHD1 dNTPase inhibitor 5a
CAS#N/A

Theoretical Analysis

MedKoo Cat#: 15002

Name: SAMHD1 dNTPase inhibitor 5a

CAS#: N/A

Chemical Formula: C34H47BrN7O8P

Exact Mass: 791.2407

Molecular Weight: 792.67

Elemental Analysis: C, 51.52; H, 5.98; Br, 10.08; N, 12.37; O, 16.15; P, 3.91

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
SAMHD1 dNTPase inhibitor 5a; SAMHD1-IN-5a;
IUPAC/Chemical Name
N-ethyl-N-isopropylpropan-2-amine ((2S,3S,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3-hydroxytetrahydrofuran-2-yl)methyl (3-(3'-bromo-[1,1'-biphenyl]-3-carboxamido)propyl) phosphate
InChi Key
WJTIENBYHKSBIM-OBEKMTESSA-N
InChi Code
1S/C26H28BrN6O8P.C8H19N/c27-18-7-2-5-16(11-18)15-4-1-6-17(10-15)24(35)29-8-3-9-39-42(37,38)40-13-20-19(34)12-21(41-20)33-14-30-22-23(33)31-26(28)32-25(22)36;1-6-9(7(2)3)8(4)5/h1-2,4-7,10-11,14,19-21,34H,3,8-9,12-13H2,(H,29,35)(H,37,38)(H3,28,31,32,36);7-8H,6H2,1-5H3/t19-,20-,21+;/m0./s1
SMILES Code
O=C(NCCCOP(O)(OC[C@H]1[C@@H](O)C[C@H](N2C=NC3=C2N=C(N)NC3=O)O1)=O)C4=CC(C5=CC(Br)=CC=C5)=CC=C4.CC(C)N(CC)C(C)C
Appearance
To be determined
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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
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 792.67 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: Egleston M, Dong L, Howlader AH, Bhat S, Orris B, Bianchet MA, Greenberg MM, Stivers JT. Deoxyguanosine-Linked Bifunctional Inhibitor of SAMHD1 dNTPase Activity and Nucleic Acid Binding. ACS Chem Biol. 2023 Oct 20;18(10):2200-2210. doi: 10.1021/acschembio.3c00118. Epub 2023 May 26. PMID: 37233733; PMCID: PMC10596003.