WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H462159
CAS#: 2032096-45-8
Description: PDD 00031705 is a Negative control for PDD 00017238.
Hodoodo Cat#: H462159
Name: PDD 00031705
CAS#: 2032096-45-8
Chemical Formula: C20H22N6O3S3
Exact Mass: 490.09
Molecular Weight: 490.615
Elemental Analysis: C, 48.96; H, 4.52; N, 17.13; O, 9.78; S, 19.60
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).
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Note: Price will be listed if it is available in the future.
Synonym: PDD 00031705; PDD-00031705; PDD00031705
IUPAC/Chemical Name: 1-((2,4-dimethylthiazol-5-yl)methyl)-N-methyl-N-(1-methylcyclopropyl)-2-oxo-3-(1,2,4-thiadiazol-5-yl)-2,3-dihydro-1H-benzo[d]imidazole-5-sulfonamide
InChi Key: KWGUETFSHQZXMA-UHFFFAOYSA-N
InChi Code: InChI=1S/C20H22N6O3S3/c1-12-17(30-13(2)23-12)10-25-15-6-5-14(32(28,29)24(4)20(3)7-8-20)9-16(15)26(19(25)27)18-21-11-22-31-18/h5-6,9,11H,7-8,10H2,1-4H3
SMILES Code: O=C1N(C2=NC=NS2)C3=CC(S(=O)(N(C)C4(CC4)C)=O)=CC=C3N1CC5=C(C)N=C(C)S5
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:
| Biological target: | |
| In vitro activity: | |
| In vivo activity: |
The following data is based on the product molecular weight 490.62 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.
| 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: |
1: James DI, Smith KM, Jordan AM, et al. First-in-Class Chemical Probes against Poly(ADP-ribose) Glycohydrolase (PARG) Inhibit DNA Repair with Differential Pharmacology to Olaparib. ACS Chem Biol. 2016;11(11):3179‐3190. doi:10.1021/acschembio.6b00609.
