TD-6301

CAT: 0931-T211557-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T211557-02Size:50 mg

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

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CAS Number

690999-15-6

Target

AChR

Related Pathways

Neuroscience

Bioactivity

TD-6301 is a bladder-selective M2/4 muscarinic receptor antagonist. It binds with high selectivity and blocks M2/4 muscarinic receptors, exhibiting particularly strong affinity for the human M2 receptor (Ki= 0.36 nM) . TD-6301 inhibits volume-induced bladder contraction (ID50= 0.075 mg/kg) and is applicable for studying overactive bladder conditions.

Smiles

C(C(N)=O)([C@H]1CN(CCCCCCCN(C(C)C)C2CCN(CC=3C(OC)=CC=NC3)CC2)CC1)(C4=CC=CC=C4)C5=CC=CC=C5

Molecular Formula

C40H57N5O2

Molecular Weight

639.91

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

TD-6301

CAS Number	690999-15-6
PubChem CID	10371936
IUPAC Name	2-[(3S)-1-[7-[[1-[(4-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-propan-2-ylamino]heptyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
Molecular Formula	C40H57N5O2
Molecular Weight	639.9
XLogP	6.5
Topological Polar Surface Area	74.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	17
Heavy Atom Count	47
Formal Charge	0
Complexity	877

SMILES

CC(C)N(CCCCCCCN1CC[C@H](C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N)C4CCN(CC4)CC5=C(C=CN=C5)OC

InChI

InChI=1S/C40H57N5O2/c1-32(2)45(37-21-27-44(28-22-37)30-33-29-42-23-19-38(33)47-3)25-14-6-4-5-13-24-43-26-20-36(31-43)40(39(41)46,34-15-9-7-10-16-34)35-17-11-8-12-18-35/h7-12,15-19,23,29,32,36-37H,4-6,13-14,20-22,24-28,30-31H2,1-3H3,(H2,41,46)/t36-/m1/s1

InChIKey

FJADIVYKWUDMEW-PSXMRANNSA-N

Chemical Structure

2D Structure

CAS: 690999-15-6

CID: 10371936

Formula: C40H57N5O2

MW: 639.9

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	639.9
XLogP3	6.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	17
Exact Mass	639.45122608
Monoisotopic Mass	639.45122608
Topological Polar Surface Area	74.9 Å²
Heavy Atom Count	47
Formal Charge	0
Complexity	877
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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TD-6301

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