ATI-2341 acetate
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ATI-2341 acetate

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ATI-2341 acetate is a potent and functionally selective CXCR4 allosteric agonist that activates Gα1 rather than Gα13. ATI-2341 acetate activates the inhibitory heterotrimer G protein (GI) to promote the inhibition of cAMP production and induce calcium mobilization.

Category
Peptide Inhibitors
Catalog number
BAT-016446
Molecular Formula
C106H182N26O27S2
Molecular Weight
2316.87
ATI-2341 acetate
IUPAC Name
acetic acid;(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[2-[[(2S)-2-(hexadecanoylamino)-4-methylsulfanylbutanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-carboxypropanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoic acid
Synonyms
palmitoyl-Met-Gly-Tyr-Gln-Lys-Lys-Leu-Arg-Ser-Met-Thr-Asp-Lys-Tyr-Arg-Leu-OH.CH3CO2H; N-palmitoyl-L-methionyl-glycyl-L-tyrosyl-L-glutaminyl-L-lysyl-L-lysyl-L-leucyl-L-arginyl-L-seryl-L-methionyl-L-threonyl-L-alpha-aspartyl-L-lysyl-L-tyrosyl-L-arginyl-L-leucine acetic acid; N-(1-Oxohexadecyl)-L-methionylglycyl-L-tyrosyl-L-glutaminyl-L-lysyl-L-lysyl-L-leucyl-L-arginyl-L-seryl-L-methionyl-L-threonyl-L-α-aspartyl-L-lysyl-L-tyrosyl-L-arginyl-L-leucine acetate; ATI 2341 acetate; ATI2341 acetate
Related CAS
1337878-62-2 (free base)
Purity
≥95%
Sequence
Pal-MGYQKKLRSMTDKYRL.CH3CO2H
Storage
Store at -20°C
Solubility
Soluble in DMSO
InChI
InChI=1S/C104H178N26O25S2.C2H4O2/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-35-84(136)116-75(46-53-156-7)88(140)115-60-85(137)117-78(57-65-36-40-67(133)41-37-65)97(149)123-74(44-45-83(108)135)94(146)119-69(30-22-25-48-105)89(141)118-70(31-23-26-49-106)90(142)125-77(55-62(2)3)96(148)121-73(34-29-52-114-104(111)112)93(145)129-82(61-131)100(152)124-76(47-54-157-8)95(147)130-87(64(6)132)101(153)127-80(59-86(138)139)99(151)120-71(32-24-27-50-107)91(143)126-79(58-66-38-42-68(134)43-39-66)98(150)122-72(33-28-51-113-103(109)110)92(144)128-81(102(154)155)56-63(4)5;1-2(3)4/h36-43,62-64,69-82,87,131-134H,9-35,44-61,105-107H2,1-8H3,(H2,108,135)(H,115,140)(H,116,136)(H,117,137)(H,118,141)(H,119,146)(H,120,151)(H,121,148)(H,122,150)(H,123,149)(H,124,152)(H,125,142)(H,126,143)(H,127,153)(H,128,144)(H,129,145)(H,130,147)(H,138,139)(H,154,155)(H4,109,110,113)(H4,111,112,114);1H3,(H,3,4)/t64-,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,82+,87+;/m1./s1
InChI Key
TXQZIJARUFXQRC-QKMPYCLESA-N
Canonical SMILES
CCCCCCCCCCCCCCCC(=O)NC(CCSC)C(=O)NCC(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCC(=O)N)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CO)C(=O)NC(CCSC)C(=O)NC(C(C)O)C(=O)NC(CC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)O.CC(=O)O
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