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Pentixafor

Designed for biological research and industrial applications, not intended for individual clinical or medical purposes.
Pentixafor(CAS 1341207-62-2)

CAT No: OPO-015

CAS No:1341207-62-2

Synonyms/Alias:Pentixafor;1341207-62-2;TOZ93UY3AX;CPCR4-2;UNII-TOZ93UY3AX;BOCLATIXAFORTIDE;2-[4,7-bis(carboxymethyl)-10-[2-[[4-[3-[(2R,5S,8S,14R)-5-[3-(diaminomethylideneamino)propyl]-14-[(4-hydroxyphenyl)methyl]-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propylcarbamoyl]phenyl]methylamino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;(68GA)PENTIXAFOR;1,4,7,10-TETRAAZACYCLODODECANE-1,4,7-TRIACETIC ACID, 10-(2-(((4-(((3-((2R,5S,8S,14R)-5-(3-((AMINOIMINOMETHYL)AMINO)PROPYL)-14-((4-HYDROXYPHENYL)METHYL)-1-METHYL-8-(2-NAPHTHALENYLMETHYL)-3,6,9,12,15-PENTAOXO-1,4,7,10,13-PENTAAZACYCLOPENTADEC-2-YL)PROPYL)AMINO)CARBONYL)PHENYL)METHYL)AMINO)-2-OXOETHYL)-;Pentixafor(CPCR4-2)?;SCHEMBL14964378;EX-A7323;AT43723;DA-76714;HY-153549;CS-0783381;

Chemical Name:2-[4,7-bis(carboxymethyl)-10-[2-[[4-[3-[(2R,5S,8S,14R)-5-[3-(diaminomethylideneamino)propyl]-14-[(4-hydroxyphenyl)methyl]-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propylcarbamoyl]phenyl]methylamino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid

Custom Peptide Synthesis
cGMP Peptide
  • Registration of APIs
  • CMC information required for an IND
  • IND and NDA support
  • Drug master files (DMF) filing
M.F/Formula
C60H80N14O14
M.W/Mr.
1221.4
InChI
InChI=1S/C60H80N14O14/c1-70-49(9-5-20-63-55(84)43-16-10-40(11-17-43)33-65-51(77)35-71-22-24-72(36-52(78)79)26-28-74(38-54(82)83)29-27-73(25-23-71)37-53(80)81)58(87)68-46(8-4-21-64-60(61)62)57(86)69-47(32-41-12-15-42-6-2-3-7-44(42)30-41)56(85)66-34-50(76)67-48(59(70)88)31-39-13-18-45(75)19-14-39/h2-3,6-7,10-19,30,46-49,75H,4-5,8-9,20-29,31-38H2,1H3,(H,63,84)(H,65,77)(H,66,85)(H,67,76)(H,68,87)(H,69,86)(H,78,79)(H,80,81)(H,82,83)(H4,61,62,64)/t46-,47-,48+,49+/m0/s1
InChI Key
OSUJVKAXNLHVRB-HUMWUIFSSA-N
Canonical SMILES
CN1C(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C1=O)CC2=CC=C(C=C2)O)CC3=CC4=CC=CC=C4C=C3)CCCN=C(N)N)CCCNC(=O)C5=CC=C(C=C5)CNC(=O)CN6CCN(CCN(CCN(CC6)CC(=O)O)CC(=O)O)CC(=O)O
Isomeric SMILES
CN1[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C1=O)CC2=CC=C(C=C2)O)CC3=CC4=CC=CC=C4C=C3)CCCN=C(N)N)CCCNC(=O)C5=CC=C(C=C5)CNC(=O)CN6CCN(CCN(CCN(CC6)CC(=O)O)CC(=O)O)CC(=O)O

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