CTCE-0214

CTCE-0214 exhibits potent anti-inflammatory and immunosuppressive activities by inhibiting the production of pro-inflammatory cytokines and reducing immune cell infiltration in affected tissues. CTCE-0214 offers a promising approach for managing chronic inflammatory conditions and improving patient outcomes.

Designed for biological research and industrial applications, not intended for individual clinical or medical purposes.

CAT No: R2039

CAS No:577782-52-6

Synonyms/Alias:CTCE-0214;577782-52-6;VOY9490C9O;CTCE 0214;CDESNZRJTTVORZ-CWBIRLGUSA-N;EX-A7571;CT-0214;DA-62522;L-ASPARTAMIDE, L-LYSYL-L-PROLYL-L-VALYL-L-SERYL-L-LEUCYL-L-SERYL-L-TYROSYL-L-ARGINYL-L-ALANYL-L-PROLYL-L-PHENYLALANYL-L-ARGINYL-L-PHENYLALANYL-L-PHENYLALANYLGLYCYLGLYCYLGLYCYLGLYCYL-L-LEUCYL-L-LYSYL-L-TRYPTOPHYL-L-ISOLEUCYL-L-GLUTAMINYL-L-.ALPHA.-GLUTAMYL-L-TYROSYL-L-LEUCYL-L-.ALPHA.-GLUTAMYL-L-LYSYL-L-ALANYL-L-LEUCYL-, (24->20)-LACTAM;L-ASPARTAMIDE, L-LYSYL-L-PROLYL-L-VALYL-L-SERYL-L-LEUCYL-L-SERYL-L-TYROSYL-L-ARGINYL-L-ALANYL-L-PROLYL-L-PHENYLALANYL-L-ARGINYL-L-PHENYLALANYL-L-PHENYLALANYLGLYCYLGLYCYLGLYCYLGLYCYL-L-LEUCYL-L-LYSYL-L-TRYPTOPHYL-L-ISOLEUCYL-L-GLUTAMINYL-L-ALPHA-GLUTAMYL-L-TYROSYL-L-LEUCYL-L-ALPHA-GLUTAMYL-L-LYSYL-L-ALANYL-L-LEUCYL-, (24->20)-LACTAM;LYS-PRO-VAL-SER-LEU-SER-TYR-ARG-ALA-PRO-PHE-ARG-PHE-PHE-GLY-GLY-GLY-GLY-LEU-LYS-TRP-ILE-GLN-GLU-TYR-LEU-GLU-LYS-ALA-LEU-ASN (24->20)-LACTAM;

Chemical Name:(4S)-5-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1,4-diamino-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-[[(2S,5S,8S,11S,20S)-8-(3-amino-3-oxopropyl)-5-[(2S)-butan-2-yl]-20-[[(2S)-2-[[2-[[2-[[2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-5-carbamimidamido-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-5-carbamimidamido-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2,6-diaminohexanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]pentanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]pentanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-2-(1H-indol-3-ylmethyl)-3,6,9,14,21-pentaoxo-1,4,7,10,15-pentazacyclohenicosane-11-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoic 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
C170H254N44O40
M.W/Mr.
3554
Sequence
One Letter Code:KPVSLSYRAPFRFFGGGGLKWIQEYLEKALN
Three Letter Code:H-Lys-Pro-Val-Ser-Leu-Ser-Tyr-Arg-Ala-Pro-Phe-Arg-Phe-Phe-Gly-Gly-Gly-Gly-Leu-Lys(1)-Trp-Ile-Gln-Glu(1)-Tyr-Leu-Glu-Lys-Ala-Leu-Asn-NH2

CTCE-0214 is a synthetic peptide compound designed as a functional analog and antagonist of the chemokine receptor CXCR4. Structurally derived from the endogenous ligand stromal cell-derived factor-1 (SDF-1 or CXCL12), CTCE-0214 exhibits high specificity in modulating CXCR4-mediated signaling pathways. Its unique sequence and biochemical properties make it a valuable tool for dissecting the roles of chemokine receptors in cellular communication, migration, and immune regulation. As a research-grade peptide, CTCE-0214 is widely recognized for its utility in exploring the molecular mechanisms underlying chemokine-receptor interactions and their implications in various physiological and pathological processes.

Receptor-Ligand Interaction Studies: CTCE-0214 is extensively used in receptor-ligand binding assays to probe the specificity and affinity of CXCR4 interactions. By serving as a competitive antagonist or modulator, the peptide enables researchers to delineate the binding kinetics and structural determinants that govern CXCR4 activation. These studies are critical for mapping the molecular interface between chemokine receptors and their ligands, providing foundational insights into the regulation of chemotactic signaling cascades.

Cell Migration and Chemotaxis Research: In cellular assays, CTCE-0214 is applied to investigate the mechanisms of chemotaxis and cell trafficking mediated by the CXCR4/CXCL12 axis. Its ability to modulate receptor function allows scientists to assess the impact of CXCR4 signaling on the directed migration of immune cells, stem cells, and cancer cells. Such investigations are pivotal for understanding the cellular dynamics involved in immune surveillance, tissue regeneration, and metastatic dissemination.

Signal Transduction Analysis: The peptide is a valuable tool for dissecting downstream signaling pathways initiated by CXCR4 activation. By inhibiting or altering receptor-mediated responses, CTCE-0214 facilitates the study of intracellular signaling events, including G protein-coupled receptor (GPCR) activation, calcium flux, and MAPK pathway modulation. These analyses help clarify the molecular networks that control cell survival, proliferation, and differentiation in response to chemokine cues.

Peptide-Based Drug Discovery: CTCE-0214 serves as a model compound in the development and screening of novel peptide-based CXCR4 modulators. Its well-characterized structure and functional profile make it suitable for structure-activity relationship (SAR) studies, high-throughput screening platforms, and rational design of next-generation chemokine receptor antagonists. This application supports the advancement of targeted research tools and potential therapeutic candidates within the chemokine signaling field.

In vivo and Ex vivo Functional Assays: Researchers employ CTCE-0214 in animal models and ex vivo tissue systems to evaluate the physiological consequences of CXCR4 inhibition or modulation. By administering the peptide in controlled experimental settings, scientists can monitor alterations in cell migration, tissue homing, and inflammatory responses. These studies contribute to a deeper understanding of the chemokine axis in developmental biology, immune homeostasis, and disease progression, highlighting the peptide's versatility in translational research contexts.

InChI
InChI=1S/C170H254N44O40/c1-15-96(12)141-166(252)198-114(60-63-132(174)219)149(235)196-115(151(237)205-125(81-103-54-58-106(218)59-55-103)158(244)201-120(75-93(6)7)153(239)197-116(62-65-139(226)227)150(236)192-110(46-28-31-67-172)145(231)189-97(13)143(229)200-119(74-92(4)5)154(240)199-117(142(176)228)83-133(175)220)61-64-134(221)181-68-32-29-47-111(147(233)207-127(160(246)212-141)82-104-84-184-109-45-26-25-43-107(104)109)193-152(238)118(73-91(2)3)191-138(225)88-187-136(223)86-185-135(222)85-186-137(224)87-188-144(230)122(77-99-37-19-16-20-38-99)203-159(245)123(78-100-39-21-17-22-40-100)204-148(234)113(49-34-70-183-170(179)180)195-157(243)126(79-101-41-23-18-24-42-101)208-163(249)130-50-35-71-213(130)167(253)98(14)190-146(232)112(48-33-69-182-169(177)178)194-156(242)124(80-102-52-56-105(217)57-53-102)206-161(247)128(89-215)209-155(241)121(76-94(8)9)202-162(248)129(90-216)210-165(251)140(95(10)11)211-164(250)131-51-36-72-214(131)168(254)108(173)44-27-30-66-171/h16-26,37-43,45,52-59,84,91-98,108,110-131,140-141,184,215-218H,15,27-36,44,46-51,60-83,85-90,171-173H2,1-14H3,(H2,174,219)(H2,175,220)(H2,176,228)(H,181,221)(H,185,222)(H,186,224)(H,187,223)(H,188,230)(H,189,231)(H,190,232)(H,191,225)(H,192,236)(H,193,238)(H,194,242)(H,195,243)(H,196,235)(H,197,239)(H,198,252)(H,199,240)(H,200,229)(H,201,244)(H,202,248)(H,203,245)(H,204,234)(H,205,237)(H,206,247)(H,207,233)(H,208,249)(H,209,241)(H,210,251)(H,211,250)(H,212,246)(H,226,227)(H4,177,178,182)(H4,179,180,183)/t96-,97-,98-,108-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,140-,141-/m0/s1
InChI Key
CDESNZRJTTVORZ-CWBIRLGUSA-N
Canonical SMILES
CCC(C)C1C(=O)NC(C(=O)NC(CCC(=O)NCCCCC(C(=O)NC(C(=O)N1)CC2=CNC3=CC=CC=C32)NC(=O)C(CC(C)C)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)C(CC4=CC=CC=C4)NC(=O)C(CC5=CC=CC=C5)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC6=CC=CC=C6)NC(=O)C7CCCN7C(=O)C(C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC8=CC=C(C=C8)O)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(C(C)C)NC(=O)C9CCCN9C(=O)C(CCCCN)N)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(CC(=O)N)C(=O)N)CCC(=O)N
Isomeric SMILES
CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)NCCCC[C@@H](C(=O)N[C@H](C(=O)N1)CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC6=CC=CC=C6)NC(=O)[C@@H]7CCCN7C(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC8=CC=C(C=C8)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]9CCCN9C(=O)[C@H](CCCCN)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N)CCC(=O)N

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