ALX 40-4C Trifluoroacetate
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ALX 40-4C Trifluoroacetate

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ALX 40-4C Trifluoroacetate is a small peptide inhibitor of the chemokine receptor CXCR4, which inhibits the binding of SDF-1 to CXCR4 and inhibits the replication of X4 strain HIV-1. It is also an APJ receptor antagonist.

Category
Peptide Inhibitors
Catalog number
BAT-009175
Molecular Formula
C56H113N37O10.C2HF3O2
Molecular Weight
1578.76
IUPAC Name
(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanamide;2,2,2-trifluoroacetic acid
Synonyms
Ac-D-Arg-D-Arg-D-Arg-D-Arg-D-Arg-D-Arg-D-Arg-D-Arg-D-Arg-NH2.TFA; N-acetyl-D-arginyl-D-arginyl-D-arginyl-D-arginyl-D-arginyl-D-arginyl-D-arginyl-D-arginyl-D-argininamide trifluoroacetic acid; ALX 40-4C TFA
Related CAS
143413-49-4 (free base)
Appearance
Powder
Purity
>98%
Sequence
Ac-d-Arg-d-Arg-d-Arg-d-Arg-d-Arg-d-Arg-d-Arg-d-Arg-d-Arg-NH2.TFA
Storage
Store at -20°C
Solubility
Soluble in Water
InChI
InChI=1S/C56H113N37O10.C2HF3O2/c1-29(94)85-31(12-3-21-77-49(60)61)40(96)87-33(14-5-23-79-51(64)65)42(98)89-35(16-7-25-81-53(68)69)44(100)91-37(18-9-27-83-55(72)73)46(102)93-38(19-10-28-84-56(74)75)47(103)92-36(17-8-26-82-54(70)71)45(101)90-34(15-6-24-80-52(66)67)43(99)88-32(13-4-22-78-50(62)63)41(97)86-30(39(57)95)11-2-20-76-48(58)59;3-2(4,5)1(6)7/h30-38H,2-28H2,1H3,(H2,57,95)(H,85,94)(H,86,97)(H,87,96)(H,88,99)(H,89,98)(H,90,101)(H,91,100)(H,92,103)(H,93,102)(H4,58,59,76)(H4,60,61,77)(H4,62,63,78)(H4,64,65,79)(H4,66,67,80)(H4,68,69,81)(H4,70,71,82)(H4,72,73,83)(H4,74,75,84);(H,6,7)/t30-,31-,32-,33-,34-,35-,36-,37-,38-;/m1./s1
InChI Key
STEYCYYSAJDKSK-XZBLODPISA-N
Canonical SMILES
CC(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)N.C(=O)(C(F)(F)F)O
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