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Chemistry

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Also known as: 870964-67-3, Evocalcet [inn], Mt-4580, Khk-7580, Khk7580, E58mlh082p
Molecular Formula
C24H26N2O2
Molecular Weight
374.5  g/mol
InChI Key
RZNUIYPHQFXBAN-XLIONFOSSA-N
FDA UNII
E58MLH082P

Evocalcet
Evocalcet is an orally available calcium receptor (CaR) modulator, with potential calcimimetic activity. Upon administration, evocalcet allosterically binds to and inhibits the activity of CaR, thereby suppressing the production of serum parathyroid hormone (PTH) and prevents the PTH-mediated efflux of calcium from bone and normalizes calcium levels.
1 2D Structure

Evocalcet

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-[4-[(3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]phenyl]acetic acid
2.1.2 InChI
InChI=1S/C24H26N2O2/c1-17(22-8-4-6-19-5-2-3-7-23(19)22)25-20-13-14-26(16-20)21-11-9-18(10-12-21)15-24(27)28/h2-12,17,20,25H,13-16H2,1H3,(H,27,28)/t17-,20+/m1/s1
2.1.3 InChI Key
RZNUIYPHQFXBAN-XLIONFOSSA-N
2.1.4 Canonical SMILES
CC(C1=CC=CC2=CC=CC=C21)NC3CCN(C3)C4=CC=C(C=C4)CC(=O)O
2.1.5 Isomeric SMILES
C[C@H](C1=CC=CC2=CC=CC=C21)N[C@H]3CCN(C3)C4=CC=C(C=C4)CC(=O)O
2.2 Other Identifiers
2.2.1 UNII
E58MLH082P
2.3 Synonyms
2.3.1 MeSH Synonyms

1. (4-((3s)-3-(((1r)-1-(1-naphthyl)ethyl)amino)-1-pyrrolidinyl)phenyl)acetic Acid

2.3.2 Depositor-Supplied Synonyms

1. 870964-67-3

2. Evocalcet [inn]

3. Mt-4580

4. Khk-7580

5. Khk7580

6. E58mlh082p

7. 4-[(3s)-3-[[(1r)-1-(1-naphthalenyl)ethyl]amino]-1-pyrrolidinyl]benzeneaceticacid

8. 2-[4-[(3s)-3-[[(1r)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]phenyl]acetic Acid

9. 4-[(3s)-3-[[(1r)-1-(1-naphthalenyl)ethyl]amino]-1-pyrrolidinyl]benzeneacetic Acid

10. Benzeneacetic Acid, 4-((3s)-3-(((1r)-1-(1-naphthalenyl)ethyl)amino)-1-pyrrolidinyl)-

11. 2-(4-((s)-3-(((r)-1-(naphthalen-1-yl)ethyl)amino)pyrrolidin-1-yl)phenyl)acetic Acid

12. 2-[4-[(3s)-3-[[(1r)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]phenyl]ethanoic Acid

13. Unii-e58mlh082p

14. Evocalcet?

15. H43

16. Orkedia (tn)

17. Evocalcet (jan/inn)

18. Evocalcet [jan]

19. Evocalcet [mi]

20. Evocalcet [who-dd]

21. Gtpl9042

22. Chembl4297621

23. Schembl14668291

24. Khk7580khk7580

25. Dtxsid101132784

26. Vjb96467

27. Akos040741717

28. Db12388

29. Khk7580; Mt-4580

30. Hy-17613

31. Ms-26062

32. Cs-0014698

33. Ns00073438

34. D11063

35. G15959

36. Q27077250

37. (4-((3s)-3-(((1r)-1-(1-naphthyl)ethyl)amino)-1-pyrrolidinyl)phenyl)acetic Acid

2.4 Create Date
2013-03-21
3 Chemical and Physical Properties
Molecular Weight 374.5 g/mol
Molecular Formula C24H26N2O2
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area52.6
Heavy Atom Count28
Formal Charge0
Complexity517
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Pharmacology and Biochemistry
4.1 ATC Code

H - Systemic hormonal preparations, excl. sex hormones and insulins

H05 - Calcium homeostasis

H05B - Anti-parathyroid agents

H05BX - Other anti-parathyroid agents

H05BX06 - Evocalcet


API SUPPLIERS

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JDMF

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Evocalcet

Registration Number : 229MF10027

Registrant's Address : Osaka Prefecture, Osaka City, Chuo Ward, Doshomachi 3-2-10

Initial Date of Registration : 2017-02-08

Latest Date of Registration : 2017-12-25

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KDMF

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Evocalcet

Registrant Name : Kyowa Kirin Korea Co., Ltd.

Registration Date : 2023-11-15

Registration Number : Su214-2-ND

Manufacturer Name : Mitsubishi Tanabe Pharma Fac...

Manufacturer Address : 7473-2, Ooaza Onoda, SanyoOnoda, Yamaguchi 756-0054, Japan

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Listed Suppliers

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ATK Chemical

China
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ATK Chemical

China
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Evocalcet

About the Company : ATK Chemical is a high-tech enterprise of pharmacy research, development and marketing, mainly focuses on bioactive small-molecule inhibitor products, API and pharmaceutical interm...

ATK Chemical is a high-tech enterprise of pharmacy research, development and marketing, mainly focuses on bioactive small-molecule inhibitor products, API and pharmaceutical intermediates. After several years development,We have accumulated thousands of products. Most of our products are in stock that are ready to meet your needs. And we have a technical team composes of doctors and masters with rich developing experience. Therefore new products can be developed for customers in a short time. All of our products are subject to stringent quality testing to ensure the quality.
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J&H CHEM

China
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J&H CHEM

China
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Evocalcet

About the Company : J&H CHEM is one of China's leading providers of integrated fine chemical services including offering, research and development, Custom manufacturing business, as well as other Valu...

J&H CHEM is one of China's leading providers of integrated fine chemical services including offering, research and development, Custom manufacturing business, as well as other Value-added customer services, for diversified range products of chemicals, pharmaceuticals, and specialities. As a highly customer-oriented enterprise, we always believe "Customer first, service foremost", put forward innovation, continuously improve pipeline, integrate our broad range of products and services with our technical expertise, customise a competitive package to meet our customers' specific needs.
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Evocalcet

About the Company : KareBayTM Biochem, headquartered in New Jersey, is a U.S.-based company with a global reach, committed to pioneering and producing biochemical products and services. Serving scient...

KareBayTM Biochem, headquartered in New Jersey, is a U.S.-based company with a global reach, committed to pioneering and producing biochemical products and services. Serving scientists and clinicians, KareBayTM offers a diverse array of biotechnological products and laboratory supplies for chemical research and life process analysis. With comprehensive capabilities encompassing the commercialization of reagents and kits, biotech product manufacturing, and contract research services, KareBayTM serves organizations worldwide.
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Evocalcet

About the Company : Sichuan Qingmu Pharmaceutical Co., Ltd, is a FDA approved cGMP factory in China, focusing on APIs’ production. The products are mainly Oncology APIs, Cardiovascular APIs, and Vet...

Sichuan Qingmu Pharmaceutical Co., Ltd, is a FDA approved cGMP factory in China, focusing on APIs’ production. The products are mainly Oncology APIs, Cardiovascular APIs, and Veterinary APIs, such as Bisoprolol, Dabigatran, Lenvatinib and Fluralaner with DMFs available. Some products are certified with CEP. Also with our mother factory, we can provide CDMO production from intermediates, APIs to formulations.
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