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Apcin-A (monohydrochloride)

CAT: 0804-HY-W614725-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W614725-01Size:1 mg
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Description
Apcin-A monohydrochloride, an Apcin derivative, is an anaphase-promoting complex (APC) inhibitor. Apcin-A monohydrochloride interacts strongly with Cdc20, and inhibits the ubiquitination of Cdc20 substrates. Apcin-A monohydrochloride can be used to synthesize the PROTAC CP5V.
CAS Number
1683535-53-6
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
APC; Ligands for Target Protein for PROTAC
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage; PROTAC
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/apcin-a-monohydrochloride.html
Solubility
10 mM in DMSO
Smiles
O=C(NC(C(Cl)(Cl)Cl)NC1=NC=CC=N1)OCCCN.Cl
Molecular Formula
C10H15Cl4N5O2
Molecular Weight
379.07
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1] Chi JJ, et al. A novel strategy to block mitotic progression for targeted therapy. EBioMedicine. 2019 Oct 25. pii: S2352-3964 (19) 30677-2.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

3-Aminopropyl (2,2,2-trichloro-1-(pyrimidin-2-ylamino)ethyl)carbamate hydrochloride
CAS Number1683535-53-6
PubChem CID155906331
IUPAC Name3-aminopropyl N-[2,2,2-trichloro-1-(pyrimidin-2-ylamino)ethyl]carbamate;hydrochloride
Molecular FormulaC10H15Cl4N5O2
Molecular Weight379.1
Topological Polar Surface Area102
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count21
Formal Charge0
Complexity297
SMILES
C1=CN=C(N=C1)NC(C(Cl)(Cl)Cl)NC(=O)OCCCN.Cl
InChI
InChI=1S/C10H14Cl3N5O2.ClH/c11-10(12,13)7(17-8-15-4-2-5-16-8)18-9(19)20-6-1-3-14;/h2,4-5,7H,1,3,6,14H2,(H,18,19)(H,15,16,17);1H
InChIKey
NEYHFUCNZUYAJK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Aminopropyl (2,2,2-trichloro-1-(pyrimidin-2-ylamino)ethyl)carbamate hydrochloride
CAS: 1683535-53-6
CID: 155906331
Formula: C10H15Cl4N5O2
MW: 379.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight379.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass378.995035
Monoisotopic Mass376.997986
Topological Polar Surface Area102 Ų
Heavy Atom Count21
Formal Charge0
Complexity297
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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CatalogName
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441651-01Apcin

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