Products for Research Use Only
RegisterLogin

Bile acid probe 1

CAT: 0804-HY-158000-01Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-158000-01Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Bile acid probe 1, a clickable and photoreactive probe for Bile acid, contains ester linkage[1].
CAS Number
2148335-01-5
UNSPSC
12352005
Target
Fluorescent Dye
Type
Reference compound
Related Pathways
Others
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/bile-acid-probe-1.html
Purity
98.02
Solubility
DMSO : 5 mg/mL (ultrasonic)
Smiles
O[C@H]1[C@@]2([H])[C@@]3([H])[C@@]([C@@](CC3)([H])[C@H](C)CCC(OC)=O)([C@H](C[C@]2([H])[C@@]4([C@](C[C@@H](CC4)NC(CCC5(N=N5)CCC#C)=O)([H])C1)C)O)C
Molecular Formula
C33H51N3O5
Molecular Weight
569.78
References & Citations
[1]Shentian Zhuang, et al. Chemoproteomic Profiling of Bile Acid Interacting Proteins. ACS Cent Sci. 2017 May 24;3 (5) :501-509.
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

Bile acid probe 1
CAS Number2148335-01-5
PubChem CID171038238
IUPAC Namemethyl (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3-[3-(3-but-3-ynyldiazirin-3-yl)propanoylamino]-7,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
Molecular FormulaC33H51N3O5
Molecular Weight569.8
XLogP5
Topological Polar Surface Area121
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Heavy Atom Count41
Formal Charge0
Complexity1080
SMILES
C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)NC(=O)CCC5(N=N5)CCC#C)C)O)O)C
InChI
InChI=1S/C33H51N3O5/c1-6-7-14-33(35-36-33)16-13-28(39)34-22-12-15-31(3)21(17-22)18-26(37)30-24-10-9-23(20(2)8-11-29(40)41-5)32(24,4)27(38)19-25(30)31/h1,20-27,30,37-38H,7-19H2,2-5H3,(H,34,39)/t20-,21+,22-,23-,24+,25+,26-,27+,30+,31+,32-/m1/s1
InChIKey
KTDCHCPRJPHHTN-NXLVETOFSA-N
Chemical Structure
2D Structure
2D structure of Bile acid probe 1
CAS: 2148335-01-5
CID: 171038238
Formula: C33H51N3O5
MW: 569.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight569.8
XLogP35
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Exact Mass569.38287174
Monoisotopic Mass569.38287174
Topological Polar Surface Area121 Ų
Heavy Atom Count41
Formal Charge0
Complexity1080
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
HY-179099WDR5 probe 1
HY-135639Alkyne-probe 1
HY-D2311CDK19 Probe 1
HY-D1244-01CO probe 1
HY-145837Y1R probe-1
HY-142521BLT2 probe 1
HY-D2380H2S probe 1
HY-D2310CXCR2 Probe 1
HY-147532CB2R probe 1
HY-D2254CTB probe-1

Alternative Products

CatalogName
CHBIA100BBile Acid
307935-01Bile acid Receptor
333565-01Bile Salt for Bacteriology Bile acid : Min. 70%
abx109578-01Bile acid receptor Antibody
MBS9421295-01Recombinant Human Bile acid receptor
MBS5401189-01Bile Acid Receptor NR1H4 Antibody
abx105191-01Bile acid receptor Antibody (Biotin)
42665Bile acid receptor Polyclonal Antibody
E2042mELISA Kit For Bile acid receptor
STA-631Total Bile Acid Assay Kit

Popular Products