Motixafortide acetateProduct ingredient for Motixafortide
- Name
- Motixafortide acetate
- Drug Entry
- Motixafortide
Motixafortide is a cyclic peptide hematopoietic stem cell mobilizer used to improve stem cell collection prior to autologous transplantation.3 Hematopoietic stem cell transplantation (HSCT) is commonly employed in the context of hematologic cancers - high-dose chemotherapy regimens destroy cancerous blood cells, which are then replaced via infusion of the patient's own stem cells (i.e. an autologous transplant).4 Similar in mechanism to the previously approved plerixafor, motixafortide is an inhibitor of C-X-C Motif Chemokine Receptor 4 (CXCR4), a protein that helps to anchor stem cells to bone marrow matrix.3 When administered alongside filgrastim, another agent used to aid in stem cell collection, motixafortide enabled the collection of an adequate number of stem cells in ~92% of patients within two apheresis procedures, compared to ~26% of patients receiving only filgrastim.1
Motixafortide was approved by the FDA in September 2023, in combination with filgrastim, for use in stem cell mobilization prior to autologous stem cell transplant in patients with multiple myeloma.5 It has also been investigated alongside pembrolizumab for the treatment of pancreatic cancer.2
- Accession Number
- DBSALT003444
- Structure
- Synonyms
- BL-8040 acetate / TF-14016 acetate
- UNII
- 3ZPX60DV8A
- CAS Number
- 2639893-42-6
- Weight
- Average: 2519.86
Monoisotopic: 2518.200946273 - Chemical Formula
- C109H168FN33O31S2
- InChI Key
- GMUZYOKQKWMETH-AQDOTSTFSA-N
- InChI
- InChI=1S/C97H144FN33O19S2.6C2H4O2/c98-60-33-31-58(32-34-60)78(135)119-65(19-8-42-113-93(104)105)79(136)121-68(21-10-44-115-95(108)109)83(140)126-73(51-56-25-30-57-14-1-2-15-59(57)48-56)87(144)130-75-53-152-151-52-74(88(145)118-63(77(101)134)18-7-41-112-92(102)103)129-84(141)69(23-12-46-117-97(111)150)122-81(138)66(20-9-43-114-94(106)107)124-86(143)72(50-55-28-37-62(133)38-29-55)128-90(147)76-24-13-47-131(76)91(148)70(17-4-6-40-100)125-82(139)64(16-3-5-39-99)120-80(137)67(22-11-45-116-96(110)149)123-85(142)71(127-89(75)146)49-54-26-35-61(132)36-27-54;6*1-2(3)4/h1-2,14-15,25-38,48,63-76,132-133H,3-13,16-24,39-47,49-53,99-100H2,(H2,101,134)(H,118,145)(H,119,135)(H,120,137)(H,121,136)(H,122,138)(H,123,142)(H,124,143)(H,125,139)(H,126,140)(H,127,146)(H,128,147)(H,129,141)(H,130,144)(H4,102,103,112)(H4,104,105,113)(H4,106,107,114)(H4,108,109,115)(H3,110,116,149)(H3,111,117,150);6*1H3,(H,3,4)/t63-,64?,65-,66-,67-,68-,69?,70+,71?,72-,73-,74-,75-,76-;;;;;;/m0....../s1
- IUPAC Name
- (2S)-N-[(1S)-1-{[(1S)-1-{[(3S,6S,9S,12R,17R,20S,23S,26S,29R,34aS)-26,29-bis(4-aminobutyl)-12-{[(1S)-4-carbamimidamido-1-carbamoylbutyl]carbamoyl}-6-(3-carbamimidamidopropyl)-9,23-bis[3-(carbamoylamino)propyl]-3,20-bis[(4-hydroxyphenyl)methyl]-1,4,7,10,18,21,24,27,30-nonaoxo-dotriacontahydropyrrolo[2,1-p]1,2-dithia-5,8,11,14,17,20,23,26,29-nonaazacyclodotriacontan-17-yl]carbamoyl}-2-(naphthalen-2-yl)ethyl]carbamoyl}-4-carbamimidamidobutyl]-5-carbamimidamido-2-[(4-fluorophenyl)formamido]pentanamide; hexakis(acetic acid)
- SMILES
- CC(O)=O.CC(O)=O.CC(O)=O.CC(O)=O.CC(O)=O.CC(O)=O.NCCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@H](CC1=CC2=CC=CC=C2C=C1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)C1=CC=C(F)C=C1
- External Links
- Wikipedia
- Motixafortide
- Predicted Properties
Property Value Source logP -8.4 Chemaxon pKa (Strongest Acidic) 9.12 Chemaxon pKa (Strongest Basic) 12.53 Chemaxon Physiological Charge 6 Chemaxon Hydrogen Acceptor Count 33 Chemaxon Hydrogen Donor Count 34 Chemaxon Polar Surface Area 892.04 Å2 Chemaxon Rotatable Bond Count 49 Chemaxon Refractivity 603.34 m3·mol-1 Chemaxon Polarizability 218.09 Å3 Chemaxon Number of Rings 7 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon