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Chemistry

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Also known as: 2485861-07-0, Kd68l3grw2, Refchem:1098148, Rocbrutinib [inn], Orb1943502, Chembl5314539
Molecular Formula
C42H51N9O5
Molecular Weight
761.9  g/mol
InChI Key
OYJVFTNYBWVQHA-SANMLTNESA-N
FDA UNII
KD68L3GRW2

Rocbrutinib
ROCBRUTINIB is a small molecule drug with a maximum clinical trial phase of II and has 1 investigational indication.
1 2D Structure

Rocbrutinib

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N-[5-[[6-[2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-3-(hydroxymethyl)-4-pyridinyl]-4-methyl-3-oxopyrazin-2-yl]amino]-2-[(2S)-2-methyl-4-(oxan-4-yl)piperazin-1-yl]phenyl]prop-2-enamide
2.1.2 InChI
InChI=1S/C42H51N9O5/c1-6-37(53)45-32-20-28(7-8-34(32)49-14-13-48(23-26(49)2)29-10-17-56-18-11-29)44-38-41(55)47(5)24-33(46-38)30-9-12-43-39(31(30)25-52)51-16-15-50-35(40(51)54)19-27-21-42(3,4)22-36(27)50/h6-9,12,19-20,24,26,29,52H,1,10-11,13-18,21-23,25H2,2-5H3,(H,44,46)(H,45,53)/t26-/m0/s1
2.1.3 InChI Key
OYJVFTNYBWVQHA-SANMLTNESA-N
2.2 Other Identifiers
2.2.1 UNII
KD68L3GRW2
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 2485861-07-0

2. Kd68l3grw2

3. Refchem:1098148

4. Rocbrutinib [inn]

5. Orb1943502

6. Chembl5314539

7. Schembl21275352

8. Schembl29463602

9. Gtpl12875

10. (s)-n-[5-[[6-[2-[7,7-dimethyl-1-oxo-3,4,7,8-tetrahydro-1h-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-2(6h)-yl]-3-(hydroxymethyl)-4-pyridyl]-4-methyl-3-oxo-3,4-dihydro-2-pyrazinyl]amino]-2-[2-methyl-4-(tetrahydro-2h-pyran-4-yl)piperazin-1-yl]phenyl]acrylamide

11. Da-77517

12. Sy394072

13. Hy-156640

14. Cs-0886785

15. H40286

16. 2-propenamide, N-[5-[[6-[2-(1,3,4,6,7,8-hexahydro-7,7-dimethyl-1-oxo-2h-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-2-yl)-3-(hydroxymethyl)-4-pyridinyl]-3,4-dihydro-4-methyl-3-oxo-2-pyrazinyl]amino]-2-[(2s)-2-methyl-4-(tetrahydro-2h-pyran-4-yl)-1-piperazinyl]phenyl]-

17. N-[5-[[6-[2-(1,3,4,6,7,8-hexahydro-7,7-dimethyl-1-oxo-2h-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-2-yl)-3-(hydroxymethyl)-4-pyridinyl]-3,4-dihydro-4-methyl-3-oxo-2-pyrazinyl]amino]-2-[(2s)-2-methyl-4-(tetrahydro-2h-pyran-4-yl)-1-piperazinyl]phenyl]-2-propenamide

18. N-[5-[[6-[2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-3-(hydroxymethyl)pyridin-4-yl]-4-methyl-3-oxopyrazin-2-yl]amino]-2-[(2s)-2-methyl-4-(oxan-4-yl)piperazin-1-yl]phenyl]prop-2-enamide

2.4 Create Date
2019-11-02
3 Chemical and Physical Properties
Molecular Weight 761.9 g/mol
Molecular Formula C42H51N9O5
XLogP32.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area148
Heavy Atom Count56
Formal Charge0
Complexity1560
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

ABOUT THIS PAGE

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Rocbrutinib manufacturers, exporters & distributors 1

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

Send us enquiries for free, and we will assist you in establishing a direct connection with your preferred Rocbrutinib manufacturer or Rocbrutinib supplier.

API | Excipient name

Rocbrutinib

Synonyms

2485861-07-0, Kd68l3grw2, Refchem:1098148, Rocbrutinib [inn], Orb1943502, Chembl5314539

Cas Number

2485861-07-0

Unique Ingredient Identifier (UNII)

KD68L3GRW2

About Rocbrutinib

ROCBRUTINIB is a small molecule drug with a maximum clinical trial phase of II and has 1 investigational indication.

Rocbrutinib Manufacturers

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

Rocbrutinib Suppliers

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

Rocbrutinib GMP

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

Rocbrutinib CoA

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

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

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