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Chemistry

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Also known as: 1051366-32-5, Pol6326, Cyclo(l-alanyl-l-cysteinyl-l-seryl-l-alanyl-d-prolyl-(2s)-2,4-diaminobutanoyl-l-arginyl-l-tyrosyl-l-cysteinyl-l-tyrosyl-l-glutaminyl-l-lysyl-d-prolyl-l-prolyl-l-tyrosyl-l-histidyl), cyclic (2->9)-disulfide, Balixafortide [inn], Balixafortide [usan], Balixafortide(pol6326)
Molecular Formula
C84H118N24O21S2
Molecular Weight
1864.1  g/mol
InChI Key
OYWQJZAVFWOOBF-WBMPNIIXSA-N

Balixafortide
Balixafortide is an orally bioavailable inhibitor of CXC chemokine receptor 4 (CXCR4) with receptor binding and hematopoietic stem cell-mobilization activities. Balixafortide binds to the chemokine receptor CXCR4, thereby preventing the binding of stromal derived factor-1 (SDF-1 or CXCL12) to the CXCR4 receptor and subsequent receptor activation. This may induce the mobilization of hematopoietic stem and progenitor cells from the bone marrow into blood. CXCR4, a chemokine receptor belonging to the G protein-coupled receptor (GPCR) gene family, plays an important role in chemotaxis and angiogenesis and is upregulated in several tumor cell types; CXCL12/CXCR4 interaction induces retention of hematopoietic cells in the bone marrow.
1 2D Structure

Balixafortide

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-[(1R,4S,7S,10S,16S,22R,25S,28S,31S,34R,37S,40S,43S,46R,52S,55S)-25-(4-aminobutyl)-43-(2-aminoethyl)-40-(3-carbamimidamidopropyl)-55-(hydroxymethyl)-10,31,37-tris[(4-hydroxyphenyl)methyl]-7-(1H-imidazol-5-ylmethyl)-4,52-dimethyl-3,8,11,17,23,26,29,32,35,38,39,42,45,51,54,57-hexadecaoxo-59,60-dithia-2,5,6,9,12,18,24,27,30,33,36,41,44,50,53,56-hexadecazapentacyclo[32.23.4.012,16.018,22.046,50]henhexacontan-28-yl]propanamide
2.1.2 InChI
InChI=1S/C84H118N24O21S2/c1-44-70(116)102-62-41-130-131-42-63(77(123)98-57(35-46-14-20-50(110)21-15-46)69(115)68(114)53(10-5-31-91-84(88)89)94-73(119)56(28-30-86)97-79(125)64-11-6-32-106(64)81(127)45(2)93-76(122)61(40-109)101-78(62)124)103-74(120)58(36-47-16-22-51(111)23-17-47)99-72(118)55(26-27-67(87)113)95-71(117)54(9-3-4-29-85)96-80(126)65-12-7-33-107(65)83(129)66-13-8-34-108(66)82(128)60(37-48-18-24-52(112)25-19-48)100-75(121)59(105-104-44)38-49-39-90-43-92-49/h14-25,39,43-45,53-66,104-105,109-112H,3-13,26-38,40-42,85-86H2,1-2H3,(H2,87,113)(H,90,92)(H,93,122)(H,94,119)(H,95,117)(H,96,126)(H,97,125)(H,98,123)(H,99,118)(H,100,121)(H,101,124)(H,102,116)(H,103,120)(H4,88,89,91)/t44-,45-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64+,65+,66-/m0/s1
2.1.3 InChI Key
OYWQJZAVFWOOBF-WBMPNIIXSA-N
2.1.4 Canonical SMILES
CC1C(=O)NC2CSSCC(C(=O)NC(C(=O)C(=O)C(NC(=O)C(NC(=O)C3CCCN3C(=O)C(NC(=O)C(NC2=O)CO)C)CCN)CCCNC(=N)N)CC4=CC=C(C=C4)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C5CCCN5C(=O)C6CCCN6C(=O)C(NC(=O)C(NN1)CC7=CN=CN7)CC8=CC=C(C=C8)O)CCCCN)CCC(=O)N)CC9=CC=C(C=C9)O
2.1.5 Isomeric SMILES
C[C@H]1C(=O)N[C@H]2CSSC[C@@H](C(=O)N[C@H](C(=O)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]3CCCN3C(=O)[C@@H](NC(=O)[C@@H](NC2=O)CO)C)CCN)CCCNC(=N)N)CC4=CC=C(C=C4)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]5CCCN5C(=O)[C@@H]6CCCN6C(=O)[C@@H](NC(=O)[C@@H](NN1)CC7=CN=CN7)CC8=CC=C(C=C8)O)CCCCN)CCC(=O)N)CC9=CC=C(C=C9)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1051366-32-5

2. Pol6326

3. Cyclo(l-alanyl-l-cysteinyl-l-seryl-l-alanyl-d-prolyl-(2s)-2,4-diaminobutanoyl-l-arginyl-l-tyrosyl-l-cysteinyl-l-tyrosyl-l-glutaminyl-l-lysyl-d-prolyl-l-prolyl-l-tyrosyl-l-histidyl), Cyclic (2->9)-disulfide

4. Balixafortide [inn]

5. Balixafortide [usan]

6. Balixafortide(pol6326)

7. Balixafortide (pol6326)

8. Unii-prc974m49b

9. Prc974m49b

10. Gtpl11587

11. Pol 6326

12. Who 9915

13. S9725

14. Ala-cys-ser-ala-pro-arg-tyr-cys-tyr-gln-lys-pro-pro-tyr-his Cyclic (2->9)-disulfide

2.3 Create Date
2019-07-22
3 Chemical and Physical Properties
Molecular Weight 1864.1 g/mol
Molecular Formula C84H118N24O21S2
XLogP3-3.5
Hydrogen Bond Donor Count24
Hydrogen Bond Acceptor Count29
Rotatable Bond Count23
Exact Mass1862.83447922 g/mol
Monoisotopic Mass1862.83447922 g/mol
Topological Polar Surface Area757 Ų
Heavy Atom Count131
Formal Charge0
Complexity3970
Isotope Atom Count0
Defined Atom Stereocenter Count16
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Drug and Medication Information
4.1 Drug Indication

Treatment of breast cancer


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ABOUT THIS PAGE

Balixafortide Manufacturers

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

Balixafortide Suppliers

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

Balixafortide GMP

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

Balixafortide CoA

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

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

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