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LP-284

CAT: 0931-T60706-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T60706-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2412580-47-1
Target
Others, DNA Alkylator/Crosslinker
Related Pathways
Others, DNA Damage/DNA Repair
Bioactivity
LP-284 is a potent DNA alkylating agent that kills solid tumors and can be used in hematologic cancer studies with compromised DNA repair, such as mantle cell lymphoma (MCL) [1] [2].
Smiles
CC=1C2([C@](C)(O)C(=O)C=3C1C(CN(C(N)=O)O)=C(C)C3)CC2
Molecular Formula
C16H20N2O4
Molecular Weight
304.34
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

8A36NL8Cat
CAS Number2412580-47-1
PubChem CID153129765
IUPAC Name1-hydroxy-1-[[(5'S)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]methyl]urea
Molecular FormulaC16H20N2O4
Molecular Weight304.34
XLogP-1.1
Topological Polar Surface Area104
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count22
Formal Charge0
Complexity697
SMILES
CC1=C(C2=C(C3(CC3)[C@](C(=O)C2=C1)(C)O)C)CN(C(=O)N)O
InChI
InChI=1S/C16H20N2O4/c1-8-6-10-12(11(8)7-18(22)14(17)20)9(2)16(4-5-16)15(3,21)13(10)19/h6,21-22H,4-5,7H2,1-3H3,(H2,17,20)/t15-/m1/s1
InChIKey
VWMPVAZEBAKLFR-OAHLLOKOSA-N
Chemical Structure
2D Structure
2D structure of 8A36NL8Cat
CAS: 2412580-47-1
CID: 153129765
Formula: C16H20N2O4
MW: 304.34
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight304.34
XLogP3-1.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass304.14230712
Monoisotopic Mass304.14230712
Topological Polar Surface Area104 Ų
Heavy Atom Count22
Formal Charge0
Complexity697
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes