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α-Dendrotoxin

CAT: 0931-TP2759-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TP2759-01Size:10 mg
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CAS Number
74504-53-3
Target
Sodium Channel, Potassium Channel
Related Pathways
Membrane transporter/Ion channel
Bioactivity
α-Dendrotoxin (α-DTX) is a small molecular peptide neurotoxin isolated from the venom of the African green mamba snake (Dendroaspis angusticeps) . This compound acts as a blocker for KV1.1, KV1.2, KV1.6, and ASIC channels. By inhibiting potassium channels, α-Dendrotoxin reduces the threshold for neuronal action potentials and increases the frequency of these potentials, thereby enhancing neuronal excitability. It is utilized in neurotoxicological research.
Molecular Formula
C305H478N98O84S6
Molecular Weight
7072
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Dendrotoxin (Dendroaspis angusticeps)

Dendrotoxin A is a peptide toxin produced by the Eastern green mamba (Dendroaspis angusticeps). Dendrotoxins block particular subtypes of voltage-gated potassium channels in neurons, thereby enhancing the release of acetylcholine at neuromuscular junctions. (L1096)

CAS Number74504-53-3
PubChem CID126843368
IUPAC Name(4S)-4-amino-5-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2R)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[(2S)-2-[[2-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S,3S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-5-amino-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-5-amino-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2R)-1-[[2-[[2-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S,3R)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-5-carbamimidamido-1-[[(2S)-5-carbamimidamido-1-[[(2S,3R)-1-[[(2R)-1-[[(2S,3S)-1-(carboxymethylamino)-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxopentanoic acid
Molecular FormulaC305H480N98O85S6
Molecular Weight7072
XLogP-38.6
Topological Polar Surface Area3050
Hydrogen Bond Donor Count114
Hydrogen Bond Acceptor Count107
Rotatable Bond Count246
Heavy Atom Count494
Formal Charge0
Complexity18200
SMILES
CC[C@H](C)[C@@H](C(=O)NCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)N)NC(=O)CNC(=O)CNC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC5=CC=C(C=C5)O)NC(=O)[C@H](CC6=CC=C(C=C6)O)NC(=O)[C@H](CC7=CC=CC=C7)NC(=O)[C@H](C)NC(=O)[C@@H]8CCCN8C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC9=CC=C(C=C9)O)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)N
InChI
InChI=1S/C305H480N98O85S6/c1-16-154(9)238(290(481)349-142-237(433)434)395-286(477)217(150-494)394-293(484)242(159(14)406)399-265(456)188(75-50-116-343-305(333)334)361-252(443)183(70-45-111-338-300(323)324)366-282(473)213(146-490)392-262(453)192(95-101-233(425)426)368-260(451)193(96-102-234(427)428)372-291(482)240(156(11)18-3)397-294(485)243(160(15)407)400-264(455)181(67-36-42-108-311)362-268(459)197(123-162-56-25-21-26-57-162)375-256(447)185(72-47-113-340-302(327)328)365-277(468)206(132-225(317)415)383-281(472)211(144-405)389-276(467)204(130-223(315)413)353-228(418)139-345-227(417)138-346-246(437)212(145-489)354-230(420)140-347-245(436)210(143-404)388-274(465)202(128-167-136-344-174-61-30-29-60-172(167)174)380-280(471)208(135-236(431)432)385-272(463)198(124-163-58-27-22-28-59-163)376-255(446)184(71-46-112-339-301(325)326)360-259(450)191(94-100-232(423)424)370-283(474)214(147-491)391-261(452)190(93-98-222(314)412)367-250(441)178(64-33-39-105-308)356-248(439)176(62-31-37-103-306)355-249(440)177(63-32-38-104-307)358-258(449)189(92-97-221(313)411)369-278(469)205(131-224(316)414)382-271(462)200(126-165-81-87-170(409)88-82-165)378-270(461)199(125-164-79-85-169(408)86-80-164)377-269(460)196(122-161-54-23-20-24-55-161)373-244(435)158(13)351-288(479)219-77-53-119-403(219)297(488)241(157(12)19-4)398-263(454)180(66-35-41-107-310)363-279(470)207(134-235(429)430)384-273(464)201(127-166-83-89-171(410)90-84-166)379-284(475)215(148-492)390-247(438)175(68-43-109-336-298(319)320)352-229(419)141-348-287(478)218-76-51-118-402(218)296(487)209(133-226(318)416)387-257(448)186(73-48-114-341-303(329)330)364-275(466)203(129-168-137-335-151-350-168)381-266(457)195(121-153(7)8)386-292(483)239(155(10)17-2)396-285(476)216(149-493)393-267(458)194(120-152(5)6)374-254(445)179(65-34-40-106-309)357-251(442)182(69-44-110-337-299(321)322)359-253(444)187(74-49-115-342-304(331)332)371-289(480)220-78-52-117-401(220)295(486)173(312)91-99-231(421)422/h20-30,54-61,79-90,136-137,151-160,173,175-220,238-243,344,404-410,489-494H,16-19,31-53,62-78,91-135,138-150,306-312H2,1-15H3,(H2,313,411)(H2,314,412)(H2,315,413)(H2,316,414)(H2,317,415)(H2,318,416)(H,335,350)(H,345,417)(H,346,437)(H,347,436)(H,348,478)(H,349,481)(H,351,479)(H,352,419)(H,353,418)(H,354,420)(H,355,440)(H,356,439)(H,357,442)(H,358,449)(H,359,444)(H,360,450)(H,361,443)(H,362,459)(H,363,470)(H,364,466)(H,365,468)(H,366,473)(H,367,441)(H,368,451)(H,369,469)(H,370,474)(H,371,480)(H,372,482)(H,373,435)(H,374,445)(H,375,447)(H,376,446)(H,377,460)(H,378,461)(H,379,475)(H,380,471)(H,381,457)(H,382,462)(H,383,472)(H,384,464)(H,385,463)(H,386,483)(H,387,448)(H,388,465)(H,389,467)(H,390,438)(H,391,452)(H,392,453)(H,393,458)(H,394,484)(H,395,477)(H,396,476)(H,397,485)(H,398,454)(H,399,456)(H,400,455)(H,421,422)(H,423,424)(H,425,426)(H,427,428)(H,429,430)(H,431,432)(H,433,434)(H4,319,320,336)(H4,321,322,337)(H4,323,324,338)(H4,325,326,339)(H4,327,328,340)(H4,329,330,341)(H4,331,332,342)(H4,333,334,343)/t154-,155-,156-,157-,158-,159+,160+,173-,175-,176-,177-,178-,179-,180-,181-,182-,183-,184-,185-,186-,187-,188-,189-,190-,191-,192-,193-,194-,195-,196-,197-,198-,199-,200-,201-,202-,203-,204-,205-,206-,207-,208-,209-,210-,211-,212-,213-,214-,215-,216-,217-,218-,219-,220-,238-,239-,240-,241-,242-,243-/m0/s1
InChIKey
VTZVGBZAMQCGPU-IXCSVPCASA-N
Chemical Structure
2D Structure
2D structure of Dendrotoxin (Dendroaspis angusticeps)
CAS: 74504-53-3
CID: 126843368
Formula: C305H480N98O85S6
MW: 7072
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight7072
XLogP3-38.6
Hydrogen Bond Donor Count114
Hydrogen Bond Acceptor Count107
Rotatable Bond Count246
Exact Mass7070.4675019
Monoisotopic Mass7067.4574374
Topological Polar Surface Area3050 Ų
Heavy Atom Count494
Formal Charge0
Complexity18200
Isotope Atom Count0
Defined Atom Stereocenter Count60
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
4030552.05α-Dendrotoxin
HY-P5835δ-Dendrotoxin
H-1088.0100a-Dendrotoxin
HY-P3089Dendrotoxin K
MBS659905-01Dendrotoxin, alpha
MBS5822128delta-Dendrotoxin
FD108355-01Alpha-Dendrotoxin
MBS5821723Dendrotoxin-I
4330-sDendrotoxin I
HY-P3089A-01Dendrotoxin K (TFA)

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