Bimosiamose

CAT: 0013-GTR19203926-02Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19203926-02Size:1 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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Description

Bimosiamose (TBC-1269) is a pan-selectin antagonist with anti-inflammatory properties, exhibiting IC50 values of 88 μM, 20 μM, and 86 μM for E-, L-, and P-selectin, respectively. It has been utilized in research models investigating inflammatory diseases such as asthma and ischemia-reperfusion injury in both in vitro and in vivo studies.

CAS Number

187269-40-5

Field of Research

Signal Transduction

Smiles

OC[C@H]1O[C@H] (Oc2ccc (CCCCCCc3ccc (O[C@H]4O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@@H]4O) c (c3) -c3cccc (CC (O) =O) c3) cc2-c2cccc (CC (O) =O) c2) [C@@H] (O) [C@@H] (O) [C@@H]1O

Molecular Formula

C46H54O16

Molecular Weight

862.91

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Bimosiamose

a selectin inhibitor

CAS Number	187269-40-5
PubChem CID	9811353
IUPAC Name	2-[3-[5-[6-[3-[3-(carboxymethyl)phenyl]-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]hexyl]-2-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenyl]acetic acid
Molecular Formula	C46H54O16
Molecular Weight	862.9
XLogP	4.2
Topological Polar Surface Area	273
Hydrogen Bond Donor Count	10
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	19
Heavy Atom Count	62
Formal Charge	0
Complexity	1270

SMILES

C1=CC(=CC(=C1)C2=C(C=CC(=C2)CCCCCCC3=CC(=C(C=C3)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C5=CC=CC(=C5)CC(=O)O)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)CC(=O)O

InChI

InChI=1S/C46H54O16/c47-23-35-39(53)41(55)43(57)45(61-35)59-33-15-13-25(19-31(33)29-11-5-9-27(17-29)21-37(49)50)7-3-1-2-4-8-26-14-16-34(60-46-44(58)42(56)40(54)36(24-48)62-46)32(20-26)30-12-6-10-28(18-30)22-38(51)52/h5-6,9-20,35-36,39-48,53-58H,1-4,7-8,21-24H2,(H,49,50)(H,51,52)/t35-,36-,39-,40-,41+,42+,43+,44+,45+,46+/m1/s1

InChIKey

RYWCQJDEHXJHRI-XJMXIVSISA-N

Chemical Structure

2D Structure

CAS: 187269-40-5

CID: 9811353

Formula: C46H54O16

MW: 862.9

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	862.9
XLogP3	4.2
Hydrogen Bond Donor Count	10
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	19
Exact Mass	862.34118563
Monoisotopic Mass	862.34118563
Topological Polar Surface Area	273 Å²
Heavy Atom Count	62
Formal Charge	0
Complexity	1270
Isotope Atom Count	0
Defined Atom Stereocenter Count	10
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
HY-106139-01	Bimosiamose
A13178-50	Bimosiamose 50mg
A13178-25	Bimosiamose 25mg
A13178-10	Bimosiamose 10mg
A13178-100	Bimosiamose 100mg
HY-106139A	Bimosiamose (disodium)
HY-106139R-01	Bimosiamose (Standard)
T14573	Bimosiamose disodium
A13178-5	Bimosiamose 5mg
A13178-1	Bimosiamose 1mg

Bimosiamose

Chemical Information

Alternative Products

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