ALX 40-4C - CAS 143413-49-4

ALX 40-4C 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-009174
CAS number
143413-49-4
Molecular Formula
C56H113N37O10
Molecular Weight
1464.74
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
Synonyms
Ac-D-Arg-D-Arg-D-Arg-D-Arg-D-Arg-D-Arg-D-Arg-D-Arg-D-Arg-NH2; N-acetyl-D-arginyl-D-arginyl-D-arginyl-D-arginyl-D-arginyl-D-arginyl-D-arginyl-D-arginyl-D-argininamide; Ac-(D-Arg)9-NH2; ALX40-4C; N-alpha-Acetyl-nona-D-arginine amide
Purity
≥95%
Density
1.58±0.1 g/cm3 (Predicted)
Sequence
Ac-d-Arg-d-Arg-d-Arg-d-Arg-d-Arg-d-Arg-d-Arg-d-Arg-d-Arg-NH2
Storage
Store at -20°C
Solubility
Soluble in Water
InChI
InChI=1S/C56H113N37O10/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/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)/t30-,31-,32-,33-,34-,35-,36-,37-,38-/m1/s1
InChI Key
LGLVVVCSQBZONM-HCCLCSBVSA-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
Bio Calculators
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It is commonly abbreviated as: C1V1 = C2V2

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