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β-Interleukin I (163-171), human

CAT: 0607-A1026-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-A1026-25Size:25 mg
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Description
T cell activator
CAS Number
106021-96-9
Product Name Alternative
β-Interleukin I (163-171), human
Sequence
H2N-Val-Gln-Gly-Glu-Glu-Ser-Asn-Asp-Lys-OH
Field of Research
Immunology Inflammation Other Signal Transduction
Purity
0.9958
Form
A solid
Solubility
insoluble in EtOH; ≥100.4 mg/mL in DMSO; ≥24.75 mg/mL in H2O
Smiles
CC(C)C(C(=O)NC(CCC(=O)N)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CO)C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)O)C(=O)NC(CCCCN)C(=O)O)N
Molecular Formula
C39H64N12O19
Molecular Weight
1004.99
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Interleukin-1beta (163-171)

nonapeptide which has in vivo immunostimulating activity

CAS Number106021-96-9
PubChem CID123872
IUPAC Name(2S)-6-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]-3-carboxypropanoyl]amino]hexanoic acid
Molecular FormulaC39H64N12O19
Molecular Weight1005.0
XLogP-12.6
Topological Polar Surface Area540
Hydrogen Bond Donor Count17
Hydrogen Bond Acceptor Count21
Rotatable Bond Count36
Heavy Atom Count70
Formal Charge0
Complexity1920
SMILES
CC(C)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)O)N
InChI
InChI=1S/C39H64N12O19/c1-17(2)31(43)38(68)47-18(6-9-25(41)53)32(62)44-15-27(55)45-19(7-10-28(56)57)33(63)46-20(8-11-29(58)59)34(64)51-24(16-52)37(67)49-22(13-26(42)54)35(65)50-23(14-30(60)61)36(66)48-21(39(69)70)5-3-4-12-40/h17-24,31,52H,3-16,40,43H2,1-2H3,(H2,41,53)(H2,42,54)(H,44,62)(H,45,55)(H,46,63)(H,47,68)(H,48,66)(H,49,67)(H,50,65)(H,51,64)(H,56,57)(H,58,59)(H,60,61)(H,69,70)/t18-,19-,20-,21-,22-,23-,24-,31-/m0/s1
InChIKey
NIXBZDOQHRZFDR-OEWCNXHOSA-N
Chemical Structure
2D Structure
2D structure of Interleukin-1beta (163-171)
CAS: 106021-96-9
CID: 123872
Formula: C39H64N12O19
MW: 1005.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1005.0
XLogP3-12.6
Hydrogen Bond Donor Count17
Hydrogen Bond Acceptor Count21
Rotatable Bond Count36
Exact Mass1004.44106786
Monoisotopic Mass1004.44106786
Topological Polar Surface Area540 Ų
Heavy Atom Count70
Formal Charge0
Complexity1920
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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Alternative Products

CatalogName
HY-113893β-Interleukin I (163-171), human
5-00493beta-Interleukin I (163-171), human
GTR18919258-01β-Interleukin I (163-171), human Acetate
CCP2532-01Interleukin I Beta (163-171) (Human)
A15426-5Beta-Interleukin I (163-171), human 5mg
A15426-10Beta-Interleukin I (163-171), human 10mg
BUP20894-01SS-Interleukin I (163-171), human Acetate
GTR18889662Human beta Interleukin 1 (163-171) peptide
MBS5773132beta-Interleukin I (163-171), Human Acetate
A15426-25Beta-Interleukin I (163-171), human 25mg

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