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Chemistry

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Also known as: Momelotinib dihydrochloride monohydrate, Ldx8893l5d, Cyt-387 dihydrochloride monohydrate, Cyt-11387 dihydrochloride monohydrate, Momelotinib hydrochloride hydrate (jan), Momelotinib hydrochloride hydrate [jan]
Molecular Formula
C23H26Cl2N6O3
Molecular Weight
505.4  g/mol
InChI Key
RQKCPSIFARJBOR-UHFFFAOYSA-N
FDA UNII
LDX8893L5D

Momelotinib Hydrochloride
Momelotinib Dihydrochloride Monohydrate is the monohydrate dihydrochloride salt form of momelotinib, an orally bioavailable small molecule inhibitor of wild-type (WT) Janus kinases 1 and 2 (JAK1/2), the JAK2 mutant form JAK2V617F, and activin A receptor type 1 (ACVR1; activin receptor like kinase 2; ALK2), with antineoplastic activity. Upon oral administration, momelotinib competes with JAK1/2 for ATP binding, which results in inhibition of JAK1/2 activation, inhibition of the JAK-STAT signaling pathway, and leads to the induction of apoptosis and a reduction of tumor cell proliferation in JAK1/2-expressing tumor cells. In addition, the inhibition of ALK2 prevents liver hepcidin formation, increases iron availability and increases red blood cell (RBC) production. JAK2 is the most common mutated gene in bcr-abl-negative myeloproliferative disorders; the JAK2V617F gain-of-function mutation involves a valine-to-phenylalanine modification at position 617. The JAK-STAT signaling pathway is a major mediator of cytokine activity and is often dysregulated in a variety of tumor cell types.
1 2D Structure

Momelotinib Hydrochloride

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N-(cyanomethyl)-4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]benzamide;hydrate;dihydrochloride
2.1.2 InChI
InChI=1S/C23H22N6O2.2ClH.H2O/c24-10-12-25-22(30)18-3-1-17(2-4-18)21-9-11-26-23(28-21)27-19-5-7-20(8-6-19)29-13-15-31-16-14-29;;;/h1-9,11H,12-16H2,(H,25,30)(H,26,27,28);2*1H;1H2
2.1.3 InChI Key
RQKCPSIFARJBOR-UHFFFAOYSA-N
2.2 Other Identifiers
2.2.1 UNII
LDX8893L5D
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. Momelotinib Dihydrochloride Monohydrate

2. Ldx8893l5d

3. Cyt-387 Dihydrochloride Monohydrate

4. Cyt-11387 Dihydrochloride Monohydrate

5. Momelotinib Hydrochloride Hydrate (jan)

6. Momelotinib Hydrochloride Hydrate [jan]

7. Benzamide, N-(cyanomethyl)-4-(2-((4-(4-morpholinyl)phenyl)amino)-4-pyrimidinyl)-, Hydrochloride, Hydrate (1:2:1)

8. Benzamide, N-(cyanomethyl)-4-[2-[[4-(4-morpholinyl)phenyl]amino]-4-pyrimidinyl]-, Hydrochloride, Hydrate (1:2:1)

9. N-(cyanomethyl)-4-(2-(4-(morpholin-4-yl)anilino)pyrimidin-4-yl)benzamide Dihydrochloride Monohydrate

10. N-(cyanomethyl)-4-{2-[4-(morpholin-4-yl)anilino]pyrimidin-4-yl}benzamide Dihydrochloride Monohydrate

11. Unii-ldx8893l5d

12. Ojjaara

13. 1841094-17-4

14. Ojjaara (tn)

15. Omjjara (tn)

16. Schembl17333087

17. D10889

2.4 Create Date
2015-12-28
3 Chemical and Physical Properties
Molecular Weight 505.4 g/mol
Molecular Formula C23H26Cl2N6O3
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area104
Heavy Atom Count34
Formal Charge0
Complexity615
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count4

API SUPPLIERS

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Biophore India Pharmaceuticals Pvt...

India

USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

  • fda
  • EDQM
  • WHO-GMP

Virtual BoothBiophore is a research-driven global pharmaceutical company focused on niche APIs for the generic industry.

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USDMF CEP/COS JDMF EU-WC NDC KDMF VMF Others AUDIT
Biophore

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Jinan Tantu Chemicals

China

USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

  • fda
  • EDQM
  • WHO-GMP

Virtual BoothJinan Tantu Chemicals offers customized R&D services & production of small molecule APIs & pharmaceutical intermediates.

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USDMF CEP/COS JDMF EU-WC NDC KDMF VMF Others AUDIT
Jinan Tantu Chemicals

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Cambrex Corporation

U.S.A

USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

Neuroscience
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Cambrex Corporation

U.S.A

USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

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USDMF CEP/COS JDMF EU-WC NDC arrow-down KDMF VMF Others AUDIT
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Daishang Pharmchem Group

China

USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

Neuroscience
Not Confirmed
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Daishang Pharmchem Group

China

USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

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Listed Suppliers

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  • fda
  • EDQM
  • WHO-GMP

Virtual BoothBiophore is a research-driven global pharmaceutical company focused on niche APIs for the generic industry.

Flag India
Digital Content Digital Content

Momelotinib Hydrochloride

About the Company : Biophore, founded in 2007, has established itself as a reliable partner in the development and manufacturing of niche and complex pharmaceutical products. With 4 USFDA and EU-appro...

Biophore, founded in 2007, has established itself as a reliable partner in the development and manufacturing of niche and complex pharmaceutical products. With 4 USFDA and EU-approved API manufacturing facilities, a dedicated intermediate facility, and a R&D laboratory housing 400 scientists, Biophore has positioned itself as a global leader among API companies. It consistently ranks among the top 10 US DMF filers and has obtained over 150 patents worldwide in process and polymorph areas. Biophore's facilities have an impressive track record of successful audits by regulatory bodies such as USFDA, EMEA, ANVISA, COFEPRIS, and WHO GMP.
Biophore

02

  • fda
  • EDQM
  • WHO-GMP

Virtual BoothJinan Tantu Chemicals offers customized R&D services & production of small molecule APIs & pharmaceutical intermediates.

Flag China
Digital Content Digital Content

Momelotinib Hydrochloride

About the Company : Jinan Tantu Chemicals Co., Ltd. operates as a Contract Development and Manufacturing Organization (CDMO) that serves pharmaceutical companies worldwide. Our core services include c...

Jinan Tantu Chemicals Co., Ltd. operates as a Contract Development and Manufacturing Organization (CDMO) that serves pharmaceutical companies worldwide. Our core services include customized R&D as well as the production of small molecule pharmaceutical intermediates and Active Pharmaceutical Ingredients (APIs) for both international and domestic pharmaceutical firms. Our capabilities span from laboratory-scale kilograms to commercial ton-scale production. Additionally, we are committed to independent research and development, as well as the production and sales of high-end pharmaceutical intermediates and API products.
Jinan Tantu Chemicals

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Neuroscience
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Momelotinib dihydrochloride monohydrate

About the Company : Daishang Chemical Co., Ltd. established in January 2005, sticking to the guiding principle "Technical innovation, Quality Orientation", we practice best of technology innovation, o...

Daishang Chemical Co., Ltd. established in January 2005, sticking to the guiding principle "Technical innovation, Quality Orientation", we practice best of technology innovation, optimized management and robust service system for our customers. Daishang Chem is specialized in the researching, manufacturing, sales and marketing of API & Its Intermediates as well as other Fine Chemicals, taking great advantages of professional and proficient staff, based on three chemical manufacturing sites and one GMP manufacturing workshops in Liaoning, Henan and Zhejiang provinces, and one R&D laboratory in Zhangjiang Hi-tech Park.
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