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AN-12-H5 intermediate-1

CAT: 0804-HY-22055B-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-22055B-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
AN-12-H5 intermediate-1 ((2S,4S) -1-tert-butyl 2-methyl-4-hydroxypiperidine-1,2-dicarboxylate) is an intermediate of the viral inhibitor AN-12-H5 and can be used to synthesize Antibody-Drug Conjugates (ADCs).
CAS Number
254882-14-9
Product Name Alternative
(2S,4S) -1-tert-butyl 2-methyl-4-hydroxypiperidine-1,2-dicarboxylate
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Drug Intermediate
Type
Reference compound
Related Pathways
Others
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/an-12-h5-intermediate-1.html
Concentration
10mM
Purity
99.72
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(N1[C@H](C(OC)=O)C[C@@H](O)CC1)OC(C)(C)C
Molecular Formula
C12H21NO5
Molecular Weight
259.30
Precautions
H302, H315, H319, H335
References & Citations
[1]
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

1-(t-Butyl) 2-methyl (2S,4S)-4-hydroxypiperidine-1,2-dicarboxylate
CAS Number254882-14-9
PubChem CID7010734
IUPAC Name1-O-tert-butyl 2-O-methyl (2S,4S)-4-hydroxypiperidine-1,2-dicarboxylate
Molecular FormulaC12H21NO5
Molecular Weight259.30
XLogP0.9
Topological Polar Surface Area76.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count18
Formal Charge0
Complexity323
SMILES
CC(C)(C)OC(=O)N1CC[C@@H](C[C@H]1C(=O)OC)O
InChI
InChI=1S/C12H21NO5/c1-12(2,3)18-11(16)13-6-5-8(14)7-9(13)10(15)17-4/h8-9,14H,5-7H2,1-4H3/t8-,9-/m0/s1
InChIKey
RNMVWSAJMIKMDY-IUCAKERBSA-N
Chemical Structure
2D Structure
2D structure of 1-(t-Butyl) 2-methyl (2S,4S)-4-hydroxypiperidine-1,2-dicarboxylate
CAS: 254882-14-9
CID: 7010734
Formula: C12H21NO5
MW: 259.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight259.30
XLogP30.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass259.14197277
Monoisotopic Mass259.14197277
Topological Polar Surface Area76.1 Ų
Heavy Atom Count18
Formal Charge0
Complexity323
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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