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MedKoo Cat#: 465676 | Name: Pro-1

Description:

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

Pro-1 is a novel Pol β pro-inhibitor, being is cytotoxic in BRCA1-deficient ovarian cancer cells and breast cancer cells.

Chemical Structure

Pro-1
CAS#unknown

Theoretical Analysis

MedKoo Cat#: 465676

Name: Pro-1

CAS#: unknown

Chemical Formula: C42H36Br2ClF3N4NaO16P

Exact Mass: 1155.9769

Molecular Weight: 1158.98

Elemental Analysis: C, 43.53; H, 3.13; Br, 13.79; Cl, 3.06; F, 4.92; N, 4.83; Na, 1.98; O, 22.09; P, 2.67

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.
Bulk Inquiry
Related CAS #
No Data
Synonym
Pro-1; Pro1; Pro 1;
IUPAC/Chemical Name
sodium ((2S,3S,5R)-3-(5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-carboxamido)-5-(5-((1,6-dibromo-3-hydroxy-2-naphthamido)methyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)methyl (((3R)-2,5-diacetoxytetrahydrofuran-3-yl)methyl) phosphate
InChi Key
VMIKWPYWSJHMGU-XEWKGVLPSA-M
InChi Code
InChI=1S/C42H37Br2ClF3N4O16P.Na/c1-18(53)64-33-11-22(40(68-33)65-19(2)54)16-62-69(60,61)63-17-31-28(50-38(57)27-12-30(67-36(27)42(46,47)48)20-3-6-25(45)7-4-20)13-32(66-31)52-15-23(37(56)51-41(52)59)14-49-39(58)34-29(55)10-21-9-24(43)5-8-26(21)35(34)44;/h3-10,12,15,22,28,31-33,40,55H,11,13-14,16-17H2,1-2H3,(H,49,58)(H,50,57)(H,60,61)(H,51,56,59);/q;+1/p-1/t22-,28+,31-,32-,33?,40?;/m1./s1
SMILES Code
O=P(OC[C@H]1O[C@@H](N(C(N2)=O)C=C(CNC(C3=C(O)C=C4C=C(Br)C=CC4=C3Br)=O)C2=O)C[C@@H]1NC(C5=C(C(F)(F)F)OC(C6=CC=C(Cl)C=C6)=C5)=O)([O-])OC[C@@H]7C(OC(C)=O)OC(OC(C)=O)C7.[Na+]
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
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 1,158.98 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: Yuhas SC, Mishra A, DeWeese TL, Greenberg MM. Suppression of DNA Polymerase β Activity Is Synthetically Lethal in BRCA1-Deficient Cells. ACS Chem Biol. 2021 Aug 20;16(8):1339-1343. doi: 10.1021/acschembio.1c00385. Epub 2021 Jul 9. PMID: 34240844; PMCID: PMC8380700.

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