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Chemistry

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Also known as: Ft-4202, Etavopivat [inn], Etavopivat [usan], V4e0a9m44q, 2245053-57-8, 1-propanone, 1-(5-((2,3-dihydro-1,4-dioxino(2,3-b)pyridin-7-yl)sulfonyl)-3,4,5,6-tetrahydropyrrolo(3,4-c)pyrrol-2(1h)-yl)-3-hydroxy-2-phenyl-, (2s)-
Molecular Formula
C22H23N3O6S
Molecular Weight
457.5  g/mol
InChI Key
KZFFYEPYCVDOGE-LJQANCHMSA-N
FDA UNII
V4E0A9M44Q

Etavopivat
Etavopivat is an orally available, small-molecule allosteric activator of the selective red blood cell (RBC) isoform of pyruvate kinase (PK-R), with potential to improve symptoms in sickly cell disease (SCD) patients. Upon oral administration, etavopivat allosterically binds to and activates PK-R, thereby enhancing the glycolytic pathway activity in RBCs. This improves adenosine triphosphate (ATP) levels and reduces 2,3-diphosphoglycerate (2,3-DPG) levels in RBCs. This results in increased oxygen affinity, improved RBC deformability, decreased sickle RBC hemolysis, increased hemoglobin (Hb) levels and improved RBC membrane function. Mutations in PK-R cause deficiency in PK-R which prevents adequate RBC glycolysis, leading to a buildup of the upstream glycolytic intermediate 2,3-DPG and deficiency in the PK-R product ATP.
1 2D Structure

Etavopivat

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2S)-1-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-ylsulfonyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-3-hydroxy-2-phenylpropan-1-one
2.1.2 InChI
InChI=1S/C22H23N3O6S/c26-14-19(15-4-2-1-3-5-15)22(27)24-10-16-12-25(13-17(16)11-24)32(28,29)18-8-20-21(23-9-18)31-7-6-30-20/h1-5,8-9,19,26H,6-7,10-14H2/t19-/m1/s1
2.1.3 InChI Key
KZFFYEPYCVDOGE-LJQANCHMSA-N
2.1.4 Canonical SMILES
C1COC2=C(O1)C=C(C=N2)S(=O)(=O)N3CC4=C(C3)CN(C4)C(=O)C(CO)C5=CC=CC=C5
2.1.5 Isomeric SMILES
C1COC2=C(O1)C=C(C=N2)S(=O)(=O)N3CC4=C(C3)CN(C4)C(=O)[C@H](CO)C5=CC=CC=C5
2.2 Other Identifiers
2.2.1 UNII
V4E0A9M44Q
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. Ft-4202

2. Etavopivat [inn]

3. Etavopivat [usan]

4. V4e0a9m44q

5. 2245053-57-8

6. 1-propanone, 1-(5-((2,3-dihydro-1,4-dioxino(2,3-b)pyridin-7-yl)sulfonyl)-3,4,5,6-tetrahydropyrrolo(3,4-c)pyrrol-2(1h)-yl)-3-hydroxy-2-phenyl-, (2s)-

7. 1-propanone, 1-[5-[(2,3-dihydro-1,4-dioxino[2,3-b]pyridin-7-yl)sulfonyl]-3,4,5,6-tetrahydropyrrolo[3,4-c]pyrrol-2(1h)-yl]-3-hydroxy-2-phenyl-, (2s)-

8. Unii-v4e0a9m44q

9. Chembl4650332

10. Schembl20511240

11. Gtpl11975

12. Glxc-25164

13. Ex-a6335

14. Ft4202

15. Who 11646

16. Cs-0213556

17. (2s)-1-(5-(2,3-dihydro(1,4)dioxino(2,3-b)pyridine-7- Sulfonyl)-3,4,5,6-tetrahydropyrrolo(3,4-c)pyrrol-2(1h)- Yl)-3-hydroxy-2-phenylpropan-1-one

18. (2s)-1-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-ylsulfonyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-3-hydroxy-2-phenylpropan-1-one

19. (s)-1-(5-((2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)sulfonyl)-3,4,5,6-tetrahydropyrrolo[3,4-c]pyrrol-2(1h)-yl)-3-hydroxy-2-phenylpropan-1-one

2.4 Create Date
2018-12-15
3 Chemical and Physical Properties
Molecular Weight 457.5 g/mol
Molecular Formula C22H23N3O6S
XLogP3-0.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass457.13075664 g/mol
Monoisotopic Mass457.13075664 g/mol
Topological Polar Surface Area118 Ų
Heavy Atom Count32
Formal Charge0
Complexity832
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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ABOUT THIS PAGE

Etavopivat Manufacturers

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

Etavopivat Suppliers

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

Etavopivat GMP

Etavopivat 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 Etavopivat 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 Etavopivat GMP manufacturer or Etavopivat GMP API supplier for your needs.

Etavopivat CoA

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

Etavopivat CoA mostly includes findings from lab analyses of a specific batch. For each Etavopivat 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.

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