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Chemistry

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Also known as: Safusidenib [inn], Rck8kk7sb9, (2e)-3-(1-{[5-(2-fluoropropan-2-yl)-3-(2,4,6-trichlorophenyl)-1,2-oxazol-4-yl]carbonyl}-3-methyl-1h-indol-4-yl)prop-2-enoic acid, (e)-3-(1-(5-(2-fluoropropan-2-yl)-3-(2,4,6-trichlorophenyl)isoxazole-4-carbonyl)-3-methyl-1h-indol-4-yl)acrylic acid, 1898206-17-1, 2-propenoic acid, 3-(1-((5-(1-fluoro-1-methylethyl)-3-(2,4,6-trichlorophenyl)-4-isoxazolyl)carbonyl)-3-methyl-1h-indol-4-yl)-, (2e)-
Molecular Formula
C25H18Cl3FN2O4
Molecular Weight
535.8  g/mol
InChI Key
BOOMBLZEOHXPPX-BQYQJAHWSA-N
FDA UNII
RCK8KK7SB9

Safusidenib
Safusidenib is an orally available inhibitor of isocitrate dehydrogenase type 1 (IDH1; IDH-1; IDH1 [NADP+] soluble) mutant forms, including substitution mutations at the arginine in position 132, IDH1(R132) (IDH1-R132), with potential antineoplastic activity. Upon oral administration, safusidenib specifically binds to and inhibits certain mutant forms of IDH1, thereby inhibiting the formation of the oncometabolite 2-hydroxyglutarate (2HG) from alpha-ketoglutarate (a-KG). This prevents 2HG-mediated signaling and leads to both an induction of cellular differentiation and an inhibition of cellular proliferation in tumor cells expressing IDH1 mutations. IDH1(R132) mutations are highly expressed in certain malignancies, including gliomas; they initiate and drive cancer growth by both blocking cell differentiation and catalyzing the formation of 2HG. Safusidenib minimally targets and affects wild-type IDH1, which is expressed in normal, healthy cells.
1 2D Structure

Safusidenib

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(E)-3-[1-[5-(2-fluoropropan-2-yl)-3-(2,4,6-trichlorophenyl)-1,2-oxazole-4-carbonyl]-3-methylindol-4-yl]prop-2-enoic acid
2.1.2 InChI
InChI=1S/C25H18Cl3FN2O4/c1-12-11-31(17-6-4-5-13(19(12)17)7-8-18(32)33)24(34)21-22(30-35-23(21)25(2,3)29)20-15(27)9-14(26)10-16(20)28/h4-11H,1-3H3,(H,32,33)/b8-7+
2.1.3 InChI Key
BOOMBLZEOHXPPX-BQYQJAHWSA-N
2.1.4 Canonical SMILES
CC1=CN(C2=CC=CC(=C12)C=CC(=O)O)C(=O)C3=C(ON=C3C4=C(C=C(C=C4Cl)Cl)Cl)C(C)(C)F
2.1.5 Isomeric SMILES
CC1=CN(C2=CC=CC(=C12)/C=C/C(=O)O)C(=O)C3=C(ON=C3C4=C(C=C(C=C4Cl)Cl)Cl)C(C)(C)F
2.2 Other Identifiers
2.2.1 UNII
RCK8KK7SB9
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. Safusidenib [inn]

2. Rck8kk7sb9

3. (2e)-3-(1-{[5-(2-fluoropropan-2-yl)-3-(2,4,6-trichlorophenyl)-1,2-oxazol-4-yl]carbonyl}-3-methyl-1h-indol-4-yl)prop-2-enoic Acid

4. (e)-3-(1-(5-(2-fluoropropan-2-yl)-3-(2,4,6-trichlorophenyl)isoxazole-4-carbonyl)-3-methyl-1h-indol-4-yl)acrylic Acid

5. 1898206-17-1

6. 2-propenoic Acid, 3-(1-((5-(1-fluoro-1-methylethyl)-3-(2,4,6-trichlorophenyl)-4-isoxazolyl)carbonyl)-3-methyl-1h-indol-4-yl)-, (2e)-

7. 2-propenoic Acid, 3-[1-[[5-(1-fluoro-1-methylethyl)-3-(2,4,6-trichlorophenyl)-4-isoxazolyl]carbonyl]-3-methyl-1h-indol-4-yl]-, (2e)-

8. Ab-291 Free Acid

9. Ds-1001 Free Acid

10. Unii-rck8kk7sb9

11. Chembl4651002

12. Schembl19216573

13. Gtpl11884

14. Bdbm278559

15. Bdbm278589

16. Ds-1001a

17. Us10040791, Example 21

18. Us10040791, Example 51

19. Hy-145594

20. Cs-0376579

21. (2e)-3-(1-{[5-(1,1- Difluoroethyl)-3-(2,4,6- Trichlorophenyl)-1,2-oxazol-4- Yl]carbonyl}-3-methyl-1h- Indol-4-yl)prop-2-enoic Acid

22. (2e)-3-[1-[[5-(1-fluoro-1-methylethyl)-3-(2,4,6-trichlorophenyl)-4-isoxazolyl]carbonyl]-3-methyl-1h-indol-4-yl]-2-propenoic Acid

23. (e)-3-(1-(5-(1-fluoro-1-methyl-ethyl)-3-(2,4,6-trichlorophenyl)isoxazole-4-carbonyl)-3-methyl-indol-4-yl)prop-2-enoic Acid

24. (e)-3-[1-[5-(2-fluoropropan-2-yl)-3-(2,4,6-trichlorophenyl)-1,2-oxazole-4-carbonyl]-3-methylindol-4-yl]prop-2-enoic Acid

25. 7su

2.4 Create Date
2017-10-07
3 Chemical and Physical Properties
Molecular Weight 535.8 g/mol
Molecular Formula C25H18Cl3FN2O4
XLogP36.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area85.3
Heavy Atom Count35
Formal Charge0
Complexity834
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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ABOUT THIS PAGE

Safusidenib Manufacturers

A Safusidenib manufacturer is defined as any person or entity involved in the manufacture, preparation, processing, compounding or propagation of Safusidenib, including repackagers and relabelers. The FDA regulates Safusidenib manufacturers to ensure that their products comply with relevant laws and regulations and are safe and effective to use. Safusidenib API Manufacturers are required to adhere to Good Manufacturing Practices (GMP) to ensure that their products are consistently manufactured to meet established quality criteria.

Safusidenib Suppliers

A Safusidenib supplier is an individual or a company that provides Safusidenib active pharmaceutical ingredient (API) or Safusidenib finished formulations upon request. The Safusidenib suppliers may include Safusidenib API manufacturers, exporters, distributors and traders.

Safusidenib GMP

Safusidenib Active pharmaceutical ingredient (API) is produced in GMP-certified manufacturing facility.

GMP stands for Good Manufacturing Practices, which is a system used in the pharmaceutical industry to make sure that goods are regularly produced and monitored in accordance with quality standards. The FDA’s current Good Manufacturing Practices requirements are referred to as cGMP or current GMP which indicates that the company follows the most recent GMP specifications. The World Health Organization (WHO) has its own set of GMP guidelines, called the WHO GMP. Different countries can also set their own guidelines for GMP like China (Chinese GMP) or the EU (EU GMP).

PharmaCompass offers a list of Safusidenib GMP manufacturers, exporters & distributors, which can be sorted by USDMF, JDMF, KDMF, CEP (COS), WC, API price, and more, enabling you to easily find the right Safusidenib GMP manufacturer or Safusidenib GMP API supplier for your needs.

Safusidenib CoA

A Safusidenib CoA (Certificate of Analysis) is a formal document that attests to Safusidenib's compliance with Safusidenib specifications and serves as a tool for batch-level quality control.

Safusidenib CoA mostly includes findings from lab analyses of a specific batch. For each Safusidenib CoA document that a company creates, the USFDA specifies specific requirements, such as supplier information, material identification, transportation data, evidence of conformity and signature data.

Safusidenib may be tested according to a variety of international standards, such as European Pharmacopoeia (Safusidenib EP), Safusidenib JP (Japanese Pharmacopeia) and the US Pharmacopoeia (Safusidenib USP).

Inform the supplier about your product requirements, specifying if you need a product with particular monograph like EP (Ph. Eur.), USP, JP, BP, or any other quality. In addition, clarify whether you need hydrochloride (HCl), anhydricum, base, micronisatum or a specific level of purity. To find reputable suppliers, utilize the filters and select those certified by GMP, FDA, or any other certification as per your requirement.
For your convenience, we have listed synonyms and CAS numbers to help you find the best supplier. The use of synonyms and CAS numbers can be helpful in identifying potential suppliers, but it is crucial to note that they might not always indicate the exact same product. It is important to confirm the product details with the supplier before making a purchase to ensure that it meets your requirements.
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