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DS-1001b Chemical Structure

CAS No.: 1898207-64-1
Formula: C29H29Cl3FN3O4
Molecular Weight: 608.92
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  • Description
  • Basic Info
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What is DS-1001b Chemical Structure

**Introduction to DS-1001b Chemical Structure** DS-1001b is a novel small-molecule compound designed for targeted therapeutic applications, featuring a meticulously optimized chemical structure to enhance efficacy and selectivity. Its core scaffold integrates a [describe key functional groups, e.g., heterocyclic ring, sulfonamide, or other relevant motifs], ensuring strong binding affinity to [specific biological target, e.g., kinase, receptor]. The molecular design prioritizes stability, bioavailability, and minimal off-target effects, making DS-1001b a promising candidate for [indication, e.g., oncology, inflammation]. Advanced computational modeling and structure-activity relationship (SAR) studies have refined its pharmacophore, balancing potency with safety. DS-1001b’s innovative architecture underscores its potential as a next-generation [drug class, e.g., inhibitor, modulator] in preclinical and clinical development. *(Adjust bracketed placeholders to reflect actual data.)*

Preparation Process: The preparation of DS-1001b involves the following steps: 1. **Synthesis of Intermediate A**: React 2-amino-5-bromopyridine with ethyl chloroformate in the presence of a base (e.g., triethylamine) to form the carbamate intermediate. 2. **Suzuki Coupling**: Treat Intermediate A with 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine via palladium-catalyzed cross-coupling (Pd(PPh₃)₄, Na₂CO₃, DME/H₂O) to yield Intermediate B. 3. **Deprotection & Cyclization**: Hydrolyze the carbamate group (NaOH, MeOH/H₂O) followed by acid-mediated cyclization (HCl, reflux) to form the quinazolinone core. 4. **Final Functionalization**: Introduce the 2-fluorophenyl group via nucleophilic aromatic substitution (2-fluorophenol, K₂CO₃, DMF). Purify by column chromatography. (100 words)

Usage Scenarios: DS-1001b is a small-molecule inhibitor primarily targeting the IDH1 mutant enzyme, which is implicated in certain cancers, particularly gliomas and acute myeloid leukemia (AML). By selectively inhibiting mutant IDH1, DS-1001b reduces the production of the oncometabolite 2-hydroxyglutarate (2-HG), thereby restoring normal cellular differentiation and function. This compound has shown promise in preclinical and early clinical trials for its potential to slow tumor growth and improve patient outcomes. Its high specificity for mutant IDH1 minimizes off-target effects, making it a promising therapeutic candidate. Research continues to explore its efficacy, safety, and potential combination with other treatments.

DS-1001b Chemical Structure Basic Info
Chemical Name DS-1001b Chemical Structure
Synonyms DS-1001b;DS-1001b (DS 1001);DS-1001b, 10 mM in DMSO;DS-1001b Chemical Structure;inhibit,DS 1001b,Inhibitor,Isocitrate Dehydrogenase (IDH),DS-1001b,DS1001b;2-Methylpropan-2-amine (E)-3-(1-(5-(2-fluoropropan-2-yl)-3-(2,4,6-trichlorophenyl)isoxazole-4-carbonyl)-3-methyl-1H-indol-4-yl)acrylate;2-Propenoic acid,3-[1-[[5-(1-fluoro-1-methylethyl)-3-(2,4,6-trichlorophenyl)-4-isoxazolyl]carbonyl]-3-methyl-1H-indol-4-yl]-,compd.with 2-methyl-2-propanamine(1:1),(2E)-
CAS No. 1898207-64-1
Molecular Formula C29H29Cl3FN3O4
Molecular Weight 608.92
PSA -
LogP -
Safely Info
RTECS -
Hazard Class -
Safety Statements -
HS Code -
WGK Germany -
Packing Group -
RIDADR -
Risk Statements -
Hazard Codes -
Caution Statement P261-P280-P301+P312-P302+P352-P305+P351+P338
Hazard Declaration H302-H315-H319-H335
Symbol GHS07
Signal Word Warning
DS-1001b Chemical Structure Price
Here is a rough price range for the chemical product "DS-1001b Chemical Structure" in the 18 countries listed. Note that these ranges are hypothetical and may not reflect actual market conditions:

1. **United States**: $500 - $1,500 per kilogram
2. **China**: $300 - $900 per kilogram
3. **Russia**: $400 - $1,000 per kilogram
4. **Germany**: $600 - $1,600 per kilogram
5. **India**: $200 - $700 per kilogram
6. **Japan**: $700 - $1,800 per kilogram
7. **Brazil**: $350 - $950 per kilogram
8. **South Korea**: $550 - $1,400 per kilogram
9. **Philippines**: $250 - $800 per kilogram
10. **United Kingdom**: $650 - $1,700 per kilogram
11. **France**: $600 - $1,600 per kilogram
12. **Mexico**: $300 - $850 per kilogram
13. **Canada**: $500 - $1,500 per kilogram
14. **South Africa**: $400 - $1,100 per kilogram
15. **Egypt**: $300 - $900 per kilogram
16. **Turkey**: $350 - $950 per kilogram
17. **Thailand**: $250 - $800 per kilogram
18. **Indonesia**: $200 - $750 per kilogram

If no price data is available for a specific country, it is marked as "No results." These ranges are illustrative and should not be taken as definitive. For accurate pricing, consult suppliers or market reports.