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RTDLDSLRTYTL

CAT: 0804-HY-P10417Size: 1 EachDry Ice: NoHazardous: No
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Description
RTDLDSLRTYTL is an Alpha (v) beta (6) integrin (avb6) inhibitor with high affinity and specificity. RTDLDSLRTYTL binds to avb6 integrin, a peptide sequence that activates cytotoxicity and cytokine production in T cells, such as interferon-gamma. RTDLDSLRTYTL is designed through a chimeric T cell antigen receptor (CAR) so that T cells can be redirected to specifically recognize and attack tumor cells. RTDLDSLRTYTL can be used in the research of cancer immunotherapy and targeted drug development[1].
CAS Number
222557-93-9
UNSPSC
12352209
Target
IFNAR; Integrin
Type
Peptides
Related Pathways
Cytoskeleton; Immunology/Inflammation
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/rtdldslrtytl.html
Smiles
O=C(N[C@@H]([C@H](O)C)C(N[C@@H](CC(O)=O)C(N[C@@H](CC(C)C)C(N[C@@H](CC(O)=O)C(N[C@@H](CO)C(N[C@@H](CC(C)C)C(N[C@@H](CCCNC(N)=N)C(N[C@@H]([C@H](O)C)C(N[C@@H](CC1=CC=C(C=C1)O)C(N[C@@H]([C@H](O)C)C(N[C@@H](CC(C)C)C(O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)[C@H](CCCNC(N)=N)N
Molecular Formula
C62H104N18O22
Molecular Weight
1453.60
References & Citations
[1]Pameijer C R J, et al. Conversion of a tumor-binding peptide identified by phage display to a functional chimeric T cell antigen receptor[J]. Cancer gene therapy, 2007, 14 (1) : 91-97.
Shipping Conditions
Room temperature
Scientific Category
Peptides
Clinical Information
No Development Reported

Chemical Information

Rtdldslrtytl
CAS Number222557-93-9
PubChem CID10235870
IUPAC Name(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxybutanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoic acid
Molecular FormulaC62H104N18O22
Molecular Weight1453.6
XLogP-7.6
Topological Polar Surface Area688
Hydrogen Bond Donor Count24
Hydrogen Bond Acceptor Count25
Rotatable Bond Count47
Heavy Atom Count102
Formal Charge0
Complexity2890
SMILES
C[C@H]([C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)N)O
InChI
InChI=1S/C62H104N18O22/c1-27(2)20-37(51(92)70-36(13-11-19-69-62(66)67)50(91)79-47(31(8)83)58(99)74-39(23-33-14-16-34(85)17-15-33)55(96)80-48(32(9)84)59(100)76-42(60(101)102)22-29(5)6)72-56(97)43(26-81)77-54(95)40(24-44(86)87)73-52(93)38(21-28(3)4)71-53(94)41(25-45(88)89)75-57(98)46(30(7)82)78-49(90)35(63)12-10-18-68-61(64)65/h14-17,27-32,35-43,46-48,81-85H,10-13,18-26,63H2,1-9H3,(H,70,92)(H,71,94)(H,72,97)(H,73,93)(H,74,99)(H,75,98)(H,76,100)(H,77,95)(H,78,90)(H,79,91)(H,80,96)(H,86,87)(H,88,89)(H,101,102)(H4,64,65,68)(H4,66,67,69)/t30-,31-,32-,35+,36+,37+,38+,39+,40+,41+,42+,43+,46+,47+,48+/m1/s1
InChIKey
FKXRWOKWVMVXJC-HOKPAPASSA-N
Chemical Structure
2D Structure
2D structure of Rtdldslrtytl
CAS: 222557-93-9
CID: 10235870
Formula: C62H104N18O22
MW: 1453.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1453.6
XLogP3-7.6
Hydrogen Bond Donor Count24
Hydrogen Bond Acceptor Count25
Rotatable Bond Count47
Exact Mass1452.75725702
Monoisotopic Mass1452.75725702
Topological Polar Surface Area688 Ų
Heavy Atom Count102
Formal Charge0
Complexity2890
Isotope Atom Count0
Defined Atom Stereocenter Count15
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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