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L2H2-6OTD intermediate-2

CAT: 0804-HY-48625-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-48625-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
L2H2-6OTD intermediate-2 is an intermediate of telomerase inhibitor, which can be used in the synthesis of ADC[1].
CAS Number
890403-75-5
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Telomerase
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/l2h2-6otd-intermediate-2.html
Purity
99.72
Solubility
10 mM in DMSO
Smiles
CC(C)(C)OC(N1[C@H](C2=NC(C(O)=O)=CO2)COC1(C)C)=O
Molecular Formula
C14H20N2O6
Molecular Weight
312.32
Precautions
H302, H315, H319, H335
References & Citations
[1]Kazuaki Shibata, et al. Synthesis of Heptaoxazole Macrocyclic Analogues of Telomestatin and Evaluation of Their Telomerase Inhibitory Activities. Bulletin of the Chemical Society of Japan. Volume 86, Issue 12, December 2013, Pages 1453-1465.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, stored under nitrogen, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

L2H2-6OTD intermediate-2
CAS Number890403-75-5
PubChem CID11954900
IUPAC Name2-[(4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]-1,3-oxazole-4-carboxylic acid
Molecular FormulaC14H20N2O6
Molecular Weight312.32
XLogP1.3
Topological Polar Surface Area102
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity459
SMILES
CC1(N([C@@H](CO1)C2=NC(=CO2)C(=O)O)C(=O)OC(C)(C)C)C
InChI
InChI=1S/C14H20N2O6/c1-13(2,3)22-12(19)16-9(7-21-14(16,4)5)10-15-8(6-20-10)11(17)18/h6,9H,7H2,1-5H3,(H,17,18)/t9-/m0/s1
InChIKey
ROGULVVSLYGJPQ-VIFPVBQESA-N
Chemical Structure
2D Structure
2D structure of L2H2-6OTD intermediate-2
CAS: 890403-75-5
CID: 11954900
Formula: C14H20N2O6
MW: 312.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight312.32
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass312.13213636
Monoisotopic Mass312.13213636
Topological Polar Surface Area102 Ų
Heavy Atom Count22
Formal Charge0
Complexity459
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

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