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BiP substrate

CAT: 0804-HY-P5965-04Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-P5965-04Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BiP substrate is a peptide substrate of BiP that can be used to measure the BiP ATPase activity[1].
CAS Number
1421316-16-6
UNSPSC
12352209
Target
HSP
Type
Peptides
Related Pathways
Cell Cycle/DNA Damage; Metabolic Enzyme/Protease
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/bip-substrate.html
Purity
99.82
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
N[C@@H](CC1=CN=CN1)C(N[C@@H]([C@H](O)C)C(N[C@@H](CC2=CC=CC=C2)C(N3[C@@H](CCC3)C(N[C@@H](C)C(N[C@@H](C(C)C)C(N[C@H](C(O)=O)CC(C)C)=O)=O)=O)=O)=O)=O
Molecular Formula
C38H57N9O9
Molecular Weight
783.91
References & Citations
[1]Rosam M, et, al. Bap (Sil1) regulates the molecular chaperone BiP by coupling release of nucleotide and substrate. Nat Struct Mol Biol. 2018 Jan;25 (1) :90-100.
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

BiP substrate
CAS Number1421316-16-6
PubChem CID169450698
IUPAC Name(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3R)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoic acid
Molecular FormulaC38H57N9O9
Molecular Weight783.9
XLogP-1.2
Topological Polar Surface Area278
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count11
Rotatable Bond Count20
Heavy Atom Count56
Formal Charge0
Complexity1380
SMILES
C[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CC3=CN=CN3)N)O
InChI
InChI=1S/C38H57N9O9/c1-20(2)15-28(38(55)56)44-35(52)30(21(3)4)45-32(49)22(5)42-34(51)29-13-10-14-47(29)37(54)27(16-24-11-8-7-9-12-24)43-36(53)31(23(6)48)46-33(50)26(39)17-25-18-40-19-41-25/h7-9,11-12,18-23,26-31,48H,10,13-17,39H2,1-6H3,(H,40,41)(H,42,51)(H,43,53)(H,44,52)(H,45,49)(H,46,50)(H,55,56)/t22-,23+,26-,27-,28-,29-,30-,31-/m0/s1
InChIKey
VKIFCESQOPVHAI-ZKHCJCQSSA-N
Chemical Structure
2D Structure
2D structure of BiP substrate
CAS: 1421316-16-6
CID: 169450698
Formula: C38H57N9O9
MW: 783.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight783.9
XLogP3-1.2
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count11
Rotatable Bond Count20
Exact Mass783.42792443
Monoisotopic Mass783.42792443
Topological Polar Surface Area278 Ų
Heavy Atom Count56
Formal Charge0
Complexity1380
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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