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RYTVELA

CAT: 0804-HY-P10474-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-P10474-01Size:1 mg
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Description
RYTVELA is a deriviative of the peptide antagonist of interleukin-1 receptor 1 (IL-1R1) d- (RYTVELA) that contains all L-amino acids[1].
CAS Number
1200829-06-6
UNSPSC
12352209
Target
Drug Isomer
Related Pathways
Others
Field of Research
Others
Purity
98.89
Smiles
OC(C=C1)=CC=C1C[C@H](NC([C@@H](N)CCCNC(N)=N)=O)C(N[C@@H]([C@H](O)C)C(N[C@@H](C(C)C)C(N[C@@H](CCC(O)=O)C(N[C@@H](CC(C)C)C(N[C@@H](C)C(O)=O)=O)=O)=O)=O)=O
Molecular Formula
C38H62N10O12
Molecular Weight
850.96
References & Citations
[1]Christiane Quiniou, et al. Interleukin-1 and ischemic brain injury in the newborn: Development of a small molecule inhibitor of IL-1 receptor. Semin. Semin Perinatol. 2008 Oct;32 (5) :325-33.
Shipping Conditions
Blue Ice
Storage Conditions
-80°C, 2 years; -20°C, 1 year (Powder, sealed storage, away from moisture)
Scientific Category
Peptides
Clinical Information
No Development Reported

Chemical Information

RYTVELA (trifluoroacetate salt)
CAS Number1200829-06-6
PubChem CID11714854
IUPAC Name(4S)-4-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-5-[[(2S)-1-[[(1S)-1-carboxyethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
Molecular FormulaC38H62N10O12
Molecular Weight851.0
XLogP-4.1
Topological Polar Surface Area380
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count14
Rotatable Bond Count26
Heavy Atom Count60
Formal Charge0
Complexity1500
SMILES
C[C@H]([C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CCCN=C(N)N)N)O
InChI
InChI=1S/C38H62N10O12/c1-18(2)16-26(33(55)43-20(5)37(59)60)46-32(54)25(13-14-28(51)52)44-35(57)29(19(3)4)47-36(58)30(21(6)49)48-34(56)27(17-22-9-11-23(50)12-10-22)45-31(53)24(39)8-7-15-42-38(40)41/h9-12,18-21,24-27,29-30,49-50H,7-8,13-17,39H2,1-6H3,(H,43,55)(H,44,57)(H,45,53)(H,46,54)(H,47,58)(H,48,56)(H,51,52)(H,59,60)(H4,40,41,42)/t20-,21+,24-,25-,26-,27-,29-,30-/m0/s1
InChIKey
SUNCJLJFTXNIMH-BAKYWRNVSA-N
Chemical Structure
2D Structure
2D structure of RYTVELA (trifluoroacetate salt)
CAS: 1200829-06-6
CID: 11714854
Formula: C38H62N10O12
MW: 851.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight851.0
XLogP3-4.1
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count14
Rotatable Bond Count26
Exact Mass850.45486745
Monoisotopic Mass850.45486745
Topological Polar Surface Area380 Ų
Heavy Atom Count60
Formal Charge0
Complexity1500
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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PP47364-01H-rytvela-OH

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