Balixafortide TFA salt
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MedKoo CAT#: 205864

CAS#: 1051366-32-5 (free base)

Description: Balixafortide, also known as POL6326, is an orally bioavailable inhibitor of CXC chemokine receptor 4 (CXCR4) with receptor binding and hematopoietic stem cell-mobilization activities. CXCR4 inhibitor POL6326 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.


Chemical Structure

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Balixafortide TFA salt
CAS# 1051366-32-5 (free base)

Theoretical Analysis

MedKoo Cat#: 205864
Name: Balixafortide TFA salt
CAS#: 1051366-32-5 (free base)
Chemical Formula: C90H121F9N24O27S2
Exact Mass:
Molecular Weight: 2206.2046
Elemental Analysis: C, 49.00; H, 5.53; F, 7.75; N, 15.24; O, 19.58; S, 2.91

Price and Availability

Size Price Availability Quantity
5.0mg USD 345.0 2 Weeks
10.0mg USD 585.0 2 Weeks
25.0mg USD 1250.0 2 Weeks
50.0mg USD 1950.0 2 Weeks
100.0mg USD 2950.0 2 Weeks
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Related CAS #: 1051366-32-5 (free base)    

Synonym: POL6326; POL 6326; POL6326; Balixafortide; Ala-cys-ser-ala-pro-arg-tyr-cys-tyr-gln-lys-pro-pro-tyr-his cyclic (2->9)-disulfide TFA salt

IUPAC/Chemical Name: 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 with trifluoroacetic acid (1:3)

InChi Key: HALXAXJEIZRORP-QEDQYWNYSA-N

InChi Code: InChI=1S/C84H118N24O21S2.3C2HF3O2/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;3*3-2(4,5)1(6)7/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);3*(H,6,7)/t44-,45-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63+,64+,65+,66-;;;/m0.../s1

SMILES Code: C[C@@H]1NN[C@H](C(N[C@H](C(N2CCC[C@H]2C(N3CCC[C@@H]3C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H]4CSSC[C@@H](C(N[C@H](C(N[C@H](C(N5CCC[C@@H]5C(N[C@H](C(N[C@H](C(C([C@@H](NC4=O)CC6=CC=C(C=C6)O)=O)=O)CCCNC(N)=N)=O)CCN)=O)=O)C)=O)CO)=O)NC1=O)=O)CC7=CC=C(O)C=C7)=O)CCC(N)=O)=O)CCCCN)=O)=O)=O)CC8=CC=C(O)C=C8)=O)CC9=CN=CN9.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years)

Solubility: Soluble in DMSO, soluble in water.

Shelf Life: >5 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

Certificate of Analysis:

Safety Data Sheet (SDS):

Preparing Stock Solutions

The following data is based on the product molecular weight 2206.2046 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL

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Additional Information

 POL6326 has successfully completed Phase I clinical trials and is currently being investigated as a stand-alone therapy in a Phase II clinical trial for its efficacy in autologous transplantation of hematopoietic stem cells in multiple myeloma patients. Interim results of the Phase II trial reveal that POL6326 is safe and well tolerated by all enrolled patients. The interim results also show efficacy, in particular a rapid and predictable onset and a dose-dependent mobilization of stem cells. The mobilization, collection of stem cells from the circulating blood (apheresis), analysis and processing of stem cells is completed in one day which represents an important competitive advantage in the hospital compared to standard therapy. (source: http://www.polyphor.com/pol6326.html).