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SENP1-IN-4

CAT: 0804-HY-134597-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-134597-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
SENP1-IN-4 is a specific deSUMOylation protease 1 (SENP1) inhibitor extracted from patent CN110627860, Compound 21. SENP1-IN-4 is developed for tumor radiosensitivity enhancement[1].
CAS Number
2416910-64-8
UNSPSC
12352211
Target
E1/E2/E3 Enzyme
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/senp1-in-4.html
Purity
98.0
Solubility
DMSO : 100 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
CC1(C)[C@@H](O)CC[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@](C(NCC(NC)=O)=O)5CC[C@](C)4[C@@](C)3CC[C@@]12[H]
Molecular Formula
C33H54N2O3
Molecular Weight
526.79
References & Citations
[1]Li, Yiliang, et al. Preparation of ursolic acid derivatives useful as SENP1 inhibitors and tumor radiosensitizer. CN110627860A.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Senp1-IN-4
CAS Number2416910-64-8
PubChem CID162642618
IUPAC Name(1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-N-[2-(methylamino)-2-oxoethyl]-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxamide
Molecular FormulaC33H54N2O3
Molecular Weight526.8
XLogP6.4
Topological Polar Surface Area78.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count38
Formal Charge0
Complexity1020
SMILES
C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C)C(=O)NCC(=O)NC
InChI
InChI=1S/C33H54N2O3/c1-20-11-16-33(28(38)35-19-26(37)34-8)18-17-31(6)22(27(33)21(20)2)9-10-24-30(5)14-13-25(36)29(3,4)23(30)12-15-32(24,31)7/h9,20-21,23-25,27,36H,10-19H2,1-8H3,(H,34,37)(H,35,38)/t20-,21+,23+,24-,25+,27+,30+,31-,32-,33+/m1/s1
InChIKey
WFGOCPHTDJDQJM-XHVSEXIISA-N
Chemical Structure
2D Structure
2D structure of Senp1-IN-4
CAS: 2416910-64-8
CID: 162642618
Formula: C33H54N2O3
MW: 526.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight526.8
XLogP36.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass526.41344359
Monoisotopic Mass526.41344359
Topological Polar Surface Area78.4 Ų
Heavy Atom Count38
Formal Charge0
Complexity1020
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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