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Hydroxypropyl-beta-cyclodextrin

CAT: 0804-HY-135114Size: InquireDry Ice: NoHazardous: No
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CAT#:0804-HY-135114Size:Inquire
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
107745-73-3
UNSPSC Description
Hydroxypropyl-beta-cyclodextrin is a SARS-CoV-2 inhibitor. Hydroxypropyl-beta-cyclodextrin has immunomodulatory effects, which can reduce the production of inflammatory cytokines in lung epithelial cells infected by the virus[1].
Target Antigen
SARS-CoV
Type
Reference compound
Related Pathways
Anti-infection
Field of Research
Infection; Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/hydroxypropyl-beta-cyclodextrin.html
Smiles
CC(O)COC[C@@H](O[C@@](O[C@]([C@@H]1O)([H])[C@H](O[C@@](O[C@]([C@@H]2O)([H])[C@H](O[C@@](O[C@]([C@@H](C3O)O)([H])[C@H]4COCC(O)C)([H])[C@@H]2O)COCC(O)C)([H])[C@@H]1O)COCC(O)C)([H])[C@@H]5O)[C@@]([C@@H]5O)([H])O[C@@]([C@@H]([C@H]6O)O)([H])O[C@@H]([C@@]6([H])O[C@@]([C@@H]([C@H]7O)O)([H])O[C@@H]([C@@]7([H])O[C@@]([C@@H]([C@H]8O)O)([H])O[C@@H]([C@@]8([H])O[C@@]3([H])O4)COCC(O)C)COCC(O)C)COCC(O)C
Molecular Weight
1541.54
References & Citations
[1]Bezerra BB, et al. Hydroxypropyl-beta-cyclodextrin (HP-BCD) inhibits SARS-CoV-2 replication and virus-induced inflammatory cytokines. Antiviral Res. 2022 Sep;205:105373.
Shipping Conditions
Room temperature
Clinical Information
Phase 3

Chemical Information

2-Hydroxypropyl-Beta-Cyclodextrin

Derivative of beta-cyclodextrin that is used as an excipient for steroid drugs and as a lipid chelator.

CAS Number107745-73-3
PubChem CID14049689
IUPAC Name(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30,35-heptakis(2-hydroxypropoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol
Molecular FormulaC63H112O42
Molecular Weight1541.5
XLogP-13
Topological Polar Surface Area619
Hydrogen Bond Donor Count21
Hydrogen Bond Acceptor Count42
Rotatable Bond Count28
Heavy Atom Count105
Formal Charge0
Complexity2010
SMILES
CC(COC[C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7O)O)O[C@@H]8[C@H](O[C@H](O2)[C@@H]([C@H]8O)O)COCC(C)O)COCC(C)O)COCC(C)O)COCC(C)O)COCC(C)O)COCC(C)O)O)O)O
InChI
InChI=1S/C63H112O42/c1-22(64)8-85-15-29-50-36(71)43(78)57(92-29)100-51-30(16-86-9-23(2)65)94-59(45(80)38(51)73)102-53-32(18-88-11-25(4)67)96-61(47(82)40(53)75)104-55-34(20-90-13-27(6)69)98-63(49(84)42(55)77)105-56-35(21-91-14-28(7)70)97-62(48(83)41(56)76)103-54-33(19-89-12-26(5)68)95-60(46(81)39(54)74)101-52-31(17-87-10-24(3)66)93-58(99-50)44(79)37(52)72/h22-84H,8-21H2,1-7H3/t22?,23?,24?,25?,26?,27?,28?,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-/m1/s1
InChIKey
ODLHGICHYURWBS-LKONHMLTSA-N
Chemical Structure
2D Structure
2D structure of 2-Hydroxypropyl-Beta-Cyclodextrin
CAS: 107745-73-3
CID: 14049689
Formula: C63H112O42
MW: 1541.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1541.5
XLogP3-13
Hydrogen Bond Donor Count21
Hydrogen Bond Acceptor Count42
Rotatable Bond Count28
Exact Mass1540.6628176
Monoisotopic Mass1540.6628176
Topological Polar Surface Area619 Ų
Heavy Atom Count105
Formal Charge0
Complexity2010
Isotope Atom Count0
Defined Atom Stereocenter Count35
Undefined Atom Stereocenter Count7
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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