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Chemistry

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Also known as: 1224095-98-0, Brilacidin [usan], Pmx30063 free base, Pmx-30063 free base, Brilacidin (usan), I1679x069h
Molecular Formula
C40H50F6N14O6
Molecular Weight
936.9  g/mol
InChI Key
QPDYBCZNGUJZDK-DNQXCXABSA-N
FDA UNII
I1679X069H

Brilacidin
Brilacidin is a synthetic, nonpeptidic, small molecule mimetic of defensin, a type of host defense proteins/peptides (HDPs) or antimicrobial peptides (AMPs), with potential antibacterial and antiviral activities. Upon administration, brilacidin selectively destabilizes bacterial and viral membrane integrity, which leads to their proteolysis and degradation. HDPs are part of the innate immune response and act as the first line of defense against foreign pathogens. Severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) infection has been shown to suppress defensins.
1 2D Structure

Brilacidin

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-N,6-N-bis[3-[5-(diaminomethylideneamino)pentanoylamino]-2-[(3R)-pyrrolidin-3-yl]oxy-5-(trifluoromethyl)phenyl]pyrimidine-4,6-dicarboxamide
2.1.2 InChI
InChI=1S/C40H50F6N14O6/c41-39(42,43)21-13-25(57-31(61)5-1-3-9-53-37(47)48)33(65-23-7-11-51-18-23)27(15-21)59-35(63)29-17-30(56-20-55-29)36(64)60-28-16-22(40(44,45)46)14-26(34(28)66-24-8-12-52-19-24)58-32(62)6-2-4-10-54-38(49)50/h13-17,20,23-24,51-52H,1-12,18-19H2,(H,57,61)(H,58,62)(H,59,63)(H,60,64)(H4,47,48,53)(H4,49,50,54)/t23-,24-/m1/s1
2.1.3 InChI Key
QPDYBCZNGUJZDK-DNQXCXABSA-N
2.1.4 Canonical SMILES
C1CNCC1OC2=C(C=C(C=C2NC(=O)C3=CC(=NC=N3)C(=O)NC4=CC(=CC(=C4OC5CCNC5)NC(=O)CCCCN=C(N)N)C(F)(F)F)C(F)(F)F)NC(=O)CCCCN=C(N)N
2.1.5 Isomeric SMILES
C1CNC[C@@H]1OC2=C(C=C(C=C2NC(=O)C3=CC(=NC=N3)C(=O)NC4=CC(=CC(=C4O[C@@H]5CCNC5)NC(=O)CCCCN=C(N)N)C(F)(F)F)C(F)(F)F)NC(=O)CCCCN=C(N)N
2.2 Other Identifiers
2.2.1 UNII
I1679X069H
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Brilacidin Tetrahydrochloride

2. N4,n6-bis(3-((5-(carbamimidoylamino)pentanoyl)amino(-2-((3r)-pyrrolidin-3-yloxy)-5-(trifluoromethyl)phenyl)pyrimidine-4,6-dicarboxamide

3. Pmx 30063

4. Pmx-30063

5. Pmx-30063 Free Base

6. Pmx30063

7. Pmx30063 Free Base

2.3.2 Depositor-Supplied Synonyms

1. 1224095-98-0

2. Brilacidin [usan]

3. Pmx30063 Free Base

4. Pmx-30063 Free Base

5. Brilacidin (usan)

6. I1679x069h

7. 4,6-pyrimidinedicarboxamide, N4,n6-bis(3-((5-((aminoiminomethyl)amino)-1-oxopentyl)amino)-2-((3r)-3-pyrrolidinyloxy)-5-(trifluoromethyl)phenyl)-

8. N4,n6-bis(3-(5-guanidinopentanamido)-2-(((r)-pyrrolidin-3-yl)oxy)-5-(trifluoromethyl)phenyl)pyrimidine-4,6-dicarboxamide

9. Brilacidin [usan:inn]

10. Unii-i1679x069h

11. Brilacidin [inn]

12. Brilacidin [who-dd]

13. Schembl2878543

14. Chembl2219413

15. Dtxsid90153594

16. Glxc-25591

17. Cs-6677

18. Db12997

19. Hy-19892

20. D10414

21. Q15408420

22. 4-n,6-n-bis[3-[5-(diaminomethylideneamino)pentanoylamino]-2-[(3r)-pyrrolidin-3-yl]oxy-5-(trifluoromethyl)phenyl]pyrimidine-4,6-dicarboxamide

23. N,n'-bis(3-((5-(carbamimidoylamino)pentanoyl)amino(-2-((3r)-pyrrolidin-3-yloxy)-5-(trifluoromethyl)phenyl)pyrimidine-4,6-dicarboxamide

24. N,n'-bis(3-((5-(carbamimidoylamino)pentanoyl)amino)-2-((3r)-pyrrolidin-3-yloxy)-5-(trifluoromethyl)phenyl)pyrimidine-4,6-dicarboxamide

2.4 Create Date
2008-11-10
3 Chemical and Physical Properties
Molecular Weight 936.9 g/mol
Molecular Formula C40H50F6N14O6
XLogP30.3
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count18
Rotatable Bond Count20
Exact Mass936.39419434 g/mol
Monoisotopic Mass936.39419434 g/mol
Topological Polar Surface Area314 Ų
Heavy Atom Count66
Formal Charge0
Complexity1560
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 MeSH Pharmacological Classification

Anti-Infective Agents

Substances that prevent infectious agents or organisms from spreading or kill infectious agents in order to prevent the spread of infection. (See all compounds classified as Anti-Infective Agents.)


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ABOUT THIS PAGE

Brilacidin Manufacturers

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

Brilacidin Suppliers

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

Brilacidin GMP

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

Brilacidin CoA

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

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

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