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TAT-PiET

CAT: 0804-HY-P10445Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-P10445Size:1 Each
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Description
TAT-PiET is a cell-penetrating peptide targeting the extra-terminal (ET) domain of BRD4. TAT-PiET can reduce BRD4 and JMJD6 levels and inhibit cell proliferation. TAT-PiET also resists the endocrine resistance of ERα-positive breast cancer cells. TAT-PiET can be used for the research of cancer, such as breast cancer[1].
CAS Number
3036046-03-1
UNSPSC
12352209
Target
Epigenetic Reader Domain
Type
Peptides
Related Pathways
Epigenetics
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/tat-piet.html
Smiles
O=C(NCC(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCCCN)C(N[C@@H](CCCCN)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCC(N)=O)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CC(N)=O)C(N[C@@H](CCC(N)=O)C(N[C@@H](CCCCN)C(N[C@@H](CC1=CC=CC=C1)C(N[C@@H](CCCCN)C(N[C@@H](CS)C(NCC(N[C@@H](CCC(O)=O)C(O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)[C@H](CC2=CC=C(C=C2)O)N
Molecular Formula
C110H192N48O27S
Molecular Weight
2651.07
References & Citations
[1]Huang QX, et al. Peptide Inhibitor Targeting the Extraterminal Domain in BRD4 Potently Suppresses Breast Cancer Both In Vitro and In Vivo. J Med Chem. 2024 Apr 25;67 (8) :6658-6672.
Shipping Conditions
Room temperature
Scientific Category
Peptides
Clinical Information
No Development Reported
Isoform
BRD4

Chemical Information

TAT-PiET
CAS Number3036046-03-1
PubChem CID172653494
IUPAC Name(2S)-2-[[2-[[(2R)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]-3-sulfanylpropanoyl]amino]acetyl]amino]pentanedioic acid
Molecular FormulaC110H192N48O27S
Molecular Weight2651.1
XLogP-19.2
Topological Polar Surface Area1340
Hydrogen Bond Donor Count52
Hydrogen Bond Acceptor Count40
Rotatable Bond Count106
Heavy Atom Count186
Formal Charge0
Complexity5700
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CC2=CC=C(C=C2)O)N
InChI
InChI=1S/C110H192N48O27S/c111-42-8-4-21-64(144-88(169)63(25-12-46-133-104(119)120)142-83(163)56-140-86(167)62(115)53-60-32-34-61(159)35-33-60)89(170)145-65(22-5-9-43-112)90(171)147-68(26-13-47-134-105(121)122)91(172)150-72(30-17-51-138-109(129)130)95(176)154-74(36-39-80(116)160)99(180)152-71(29-16-50-137-108(127)128)94(175)149-69(27-14-48-135-106(123)124)92(173)148-70(28-15-49-136-107(125)126)93(174)151-73(31-18-52-139-110(131)132)97(178)157-78(55-82(118)162)102(183)155-75(37-40-81(117)161)100(181)146-66(23-6-10-44-113)96(177)156-77(54-59-19-2-1-3-20-59)101(182)153-67(24-7-11-45-114)98(179)158-79(58-186)87(168)141-57-84(164)143-76(103(184)185)38-41-85(165)166/h1-3,19-20,32-35,62-79,159,186H,4-18,21-31,36-58,111-115H2,(H2,116,160)(H2,117,161)(H2,118,162)(H,140,167)(H,141,168)(H,142,163)(H,143,164)(H,144,169)(H,145,170)(H,146,181)(H,147,171)(H,148,173)(H,149,175)(H,150,172)(H,151,174)(H,152,180)(H,153,182)(H,154,176)(H,155,183)(H,156,177)(H,157,178)(H,158,179)(H,165,166)(H,184,185)(H4,119,120,133)(H4,121,122,134)(H4,123,124,135)(H4,125,126,136)(H4,127,128,137)(H4,129,130,138)(H4,131,132,139)/t62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-/m0/s1
InChIKey
MVPDPRFANQVEEJ-URERHSJASA-N
Chemical Structure
2D Structure
2D structure of TAT-PiET
CAS: 3036046-03-1
CID: 172653494
Formula: C110H192N48O27S
MW: 2651.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight2651.1
XLogP3-19.2
Hydrogen Bond Donor Count52
Hydrogen Bond Acceptor Count40
Rotatable Bond Count106
Exact Mass2650.4880791
Monoisotopic Mass2649.4847242
Topological Polar Surface Area1340 Ų
Heavy Atom Count186
Formal Charge0
Complexity5700
Isotope Atom Count0
Defined Atom Stereocenter Count18
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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