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CT20p

CAT: 0931-TP3680-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TP3680-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1407967-57-0
Target
Bcl-2 Family
Related Pathways
Apoptosis
Bioactivity
CT20p is an anticancer peptide derived from the hydrophobic terminal of BaxC. It exhibits a unique cytotoxic effect independent of the full-length Bax, targeting mitochondria to induce fusion-like aggregation and mitochondrial membrane hyperpolarization. CT20p reduces α5β1 integrin levels, inhibits F-actin polymerization, thus disrupting the cytoskeleton and preventing cell adhesion. CT20p is applicable in breast cancer research.
Smiles
C([C@@H](C(N[C@H](C(N[C@H](C(N[C@H](C(NCC(N)=O)=O)CCSC)=O)CCCCN)=O)CCCCN)=O)NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC(CNC([C@@H](NC([C@@H](NC([C@H](CC1=CC=CC=C1)NC([C@@H](NC([C@@H](NC([C@@H](NC(C)=O)[C@@H](C)C)=O)[C@@H](C)O)=O)[C@H](CC)C)=O)=O)[C@H](C)C)=O)C)=O)=O)[C@@H](C)C)=O)CC(C)C)=O)[C@@H](C)O)=O)C)=O)CO)=O)CC(C)C)=O)[C@@H](C)O)=O)[C@H](CC)C)=O)C=2C=3C(NC2)=CC=CC3
Molecular Formula
C103H170N24O25S
Molecular Weight
2176.66
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ac-Val-Thr-Ile-Phe-Val-Ala-Gly-Val-Leu-Thr-Ala-Ser-Leu-Thr-Ile-Trp-Lys-Lys-Met-Gly-NH2
CAS Number1407967-57-0
PubChem CID177746385
IUPAC Name(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-6-aminohexanoyl]amino]-6-amino-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]hexanamide
Molecular FormulaC103H170N24O25S
Molecular Weight2176.7
XLogP2
Topological Polar Surface Area799
Hydrogen Bond Donor Count28
Hydrogen Bond Acceptor Count28
Rotatable Bond Count70
Heavy Atom Count153
Formal Charge0
Complexity4510
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)NCC(=O)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C(C)C)NC(=O)C
InChI
InChI=1S/C103H170N24O25S/c1-22-56(13)81(124-103(152)85(62(19)131)127-98(147)78(53(7)8)112-63(20)132)99(148)118-73(45-64-33-25-24-26-34-64)94(143)122-80(55(11)12)96(145)110-58(15)86(135)109-49-77(134)121-79(54(9)10)97(146)117-72(44-52(5)6)93(142)125-83(60(17)129)101(150)111-59(16)87(136)120-75(50-128)95(144)116-71(43-51(3)4)92(141)126-84(61(18)130)102(151)123-82(57(14)23-2)100(149)119-74(46-65-47-107-67-36-28-27-35-66(65)67)91(140)114-69(38-30-32-41-105)89(138)113-68(37-29-31-40-104)90(139)115-70(39-42-153-21)88(137)108-48-76(106)133/h24-28,33-36,47,51-62,68-75,78-85,107,128-131H,22-23,29-32,37-46,48-50,104-105H2,1-21H3,(H2,106,133)(H,108,137)(H,109,135)(H,110,145)(H,111,150)(H,112,132)(H,113,138)(H,114,140)(H,115,139)(H,116,144)(H,117,146)(H,118,148)(H,119,149)(H,120,136)(H,121,134)(H,122,143)(H,123,151)(H,124,152)(H,125,142)(H,126,141)(H,127,147)/t56-,57-,58-,59-,60+,61+,62+,68-,69-,70-,71-,72-,73-,74-,75-,78-,79-,80-,81-,82-,83-,84-,85-/m0/s1
InChIKey
BUCDWKSNUWCNNG-RJMMJRQVSA-N
Chemical Structure
2D Structure
2D structure of Ac-Val-Thr-Ile-Phe-Val-Ala-Gly-Val-Leu-Thr-Ala-Ser-Leu-Thr-Ile-Trp-Lys-Lys-Met-Gly-NH2
CAS: 1407967-57-0
CID: 177746385
Formula: C103H170N24O25S
MW: 2176.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight2176.7
XLogP32
Hydrogen Bond Donor Count28
Hydrogen Bond Acceptor Count28
Rotatable Bond Count70
Exact Mass2176.2523230
Monoisotopic Mass2175.2489682
Topological Polar Surface Area799 Ų
Heavy Atom Count153
Formal Charge0
Complexity4510
Isotope Atom Count0
Defined Atom Stereocenter Count23
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-P10993CT20p

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